N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea

C146H176N20O17 — CID 162126888

IUPACN-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(N(C)C)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(NC(=O)C3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CN(C)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(NC(=O)C3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c([N+](=O)[O-])c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C32H38N4O4.C30H38N4O3.C29H34N4O3.C28H32N4O5.C27H34N4O2/c37-31(21-7-8-21)35-29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-9-11-23(12-10-20)34-32(38)33-22-3-1-4-22;1-33(2)29-26-14-13-25(37-24-15-17-36-18-16-24)19-27(26)34(23-7-4-8-23)28(29)20-9-11-22(12-10-20)32-30(35)31-21-5-3-6-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)32-28(34)19-9-10-19)18-11-13-21(14-12-18)31-29(35)30-20-5-3-6-20;33-28(29-19-3-1-4-19)30-20-9-7-18(8-10-20)26-27(32(34)35)24-12-11-23(37-22-13-15-36-16-14-22)17-25(24)31(26)21-5-2-6-21;1-4-33-22-15-16-23-24(17-22)31(21-9-6-10-21)25(26(23)30(2)3)18-11-13-20(14-12-18)29-27(32)28-19-7-5-8-19/h9-14,19,21-22,24-25H,1-8,15-18H2,(H,35,37)(H2,33,34,38);9-14,19,21,23-24H,3-8,15-18H2,1-2H3,(H2,31,32,35);11-17,19-20,22H,2-10H2,1H3,(H,32,34)(H2,30,31,35);7-12,17,19,21-22H,1-6,13-16H2,(H2,29,30,33);11-17,19,21H,4-10H2,1-3H3,(H2,28,29,32)
InChIKeyZIDOSCSWBZRUNY-UHFFFAOYSA-N
MW2483.14 g/mol
LogP31.74
Rot. Bonds37

About N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea

N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea (PubChem CID 162126888) has the molecular formula C146H176N20O17 and a molecular weight of 2483.14 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
PubChem CID162126888
Molecular FormulaC146H176N20O17
Molecular Weight2483.14 g/mol
Exact Mass2481.35
IUPAC NameN-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea
SMILESCCOc1ccc2c(N(C)C)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(NC(=O)C3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CN(C)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(NC(=O)C3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c([N+](=O)[O-])c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1
InChIInChI=1S/C32H38N4O4.C30H38N4O3.C29H34N4O3.C28H32N4O5.C27H34N4O2/c37-31(21-7-8-21)35-29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-9-11-23(12-10-20)34-32(38)33-22-3-1-4-22;1-33(2)29-26-14-13-25(37-24-15-17-36-18-16-24)19-27(26)34(23-7-4-8-23)28(29)20-9-11-22(12-10-20)32-30(35)31-21-5-3-6-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)32-28(34)19-9-10-19)18-11-13-21(14-12-18)31-29(35)30-20-5-3-6-20;33-28(29-19-3-1-4-19)30-20-9-7-18(8-10-20)26-27(32(34)35)24-12-11-23(37-22-13-15-36-16-14-22)17-25(24)31(26)21-5-2-6-21;1-4-33-22-15-16-23-24(17-22)31(21-9-6-10-21)25(26(23)30(2)3)18-11-13-20(14-12-18)29-27(32)28-19-7-5-8-19/h9-14,19,21-22,24-25H,1-8,15-18H2,(H,35,37)(H2,33,34,38);9-14,19,21,23-24H,3-8,15-18H2,1-2H3,(H2,31,32,35);11-17,19-20,22H,2-10H2,1H3,(H,32,34)(H2,30,31,35);7-12,17,19,21-22H,1-6,13-16H2,(H2,29,30,33);11-17,19,21H,4-10H2,1-3H3,(H2,28,29,32)
InChIKeyZIDOSCSWBZRUNY-UHFFFAOYSA-N
XLogP31.74
TPSA411.96 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002483.14
LogP ≤ 531.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
The IUPAC name of N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea (CID 162126888) is N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea.
What is the SMILES notation for N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
The canonical SMILES for N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea is CCOc1ccc2c(N(C)C)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(NC(=O)C3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CN(C)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.O=C(Nc1ccc(-c2c(NC(=O)C3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.O=C(Nc1ccc(-c2c([N+](=O)[O-])c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1.
What is the InChIKey of N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
The InChIKey is ZIDOSCSWBZRUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O4.C30H38N4O3.C29H34N4O3.C28H32N4O5.C27H34N4O2/c37-31(21-7-8-21)35-29-27-14-13-26(40-25-15-17-39-18-16-25)19-28(27)36(24-5-2-6-24)30(29)20-9-11-23(12-10-20)34-32(38)33-22-3-1-4-22;1-33(2)29-26-14-13-25(37-24-15-17-36-18-16-24)19-27(26)34(23-7-4-8-23)28(29)20-9-11-22(12-10-20)32-30(35)31-21-5-3-6-21;1-2-36-23-15-16-24-25(17-23)33(22-7-4-8-22)27(26(24)32-28(34)19-9-10-19)18-11-13-21(14-12-18)31-29(35)30-20-5-3-6-20;33-28(29-19-3-1-4-19)30-20-9-7-18(8-10-20)26-27(32(34)35)24-12-11-23(37-22-13-15-36-16-14-22)17-25(24)31(26)21-5-2-6-21;1-4-33-22-15-16-23-24(17-22)31(21-9-6-10-21)25(26(23)30(2)3)18-11-13-20(14-12-18)29-27(32)28-19-7-5-8-19/h9-14,19,21-22,24-25H,1-8,15-18H2,(H,35,37)(H2,33,34,38);9-14,19,21,23-24H,3-8,15-18H2,1-2H3,(H2,31,32,35);11-17,19-20,22H,2-10H2,1H3,(H,32,34)(H2,30,31,35);7-12,17,19,21-22H,1-6,13-16H2,(H2,29,30,33);11-17,19,21H,4-10H2,1-3H3,(H2,28,29,32).
What are the key properties of N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea?
N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea has a molecular weight of 2483.14 g/mol, XLogP of 31.74, 37 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindol-3-yl]cyclopropanecarboxamide;N-[1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indol-3-yl]cyclopropanecarboxamide;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(dimethylamino)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-nitro-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea is sourced from PubChem (CID 162126888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).