1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide

C33H40N4O4 — CID 59424936

IUPAC1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide
SMILESCN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1
InChIInChI=1S/C33H40N4O4/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39)
InChIKeySFHYFRMTZIZJCK-UHFFFAOYSA-N
MW556.71 g/mol
LogP6.50
Rot. Bonds8

About 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide

1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide (PubChem CID 59424936) has the molecular formula C33H40N4O4 and a molecular weight of 556.71 g/mol. Its IUPAC name is 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide
PubChem CID59424936
Molecular FormulaC33H40N4O4
Molecular Weight556.71 g/mol
Exact Mass556.30
IUPAC Name1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide
SMILESCN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1
InChIInChI=1S/C33H40N4O4/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39)
InChIKeySFHYFRMTZIZJCK-UHFFFAOYSA-N
XLogP6.50
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide?
The IUPAC name of 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide (CID 59424936) is 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide.
What is the SMILES notation for 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide?
The canonical SMILES for 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide is CN(C(=O)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12)C1CC1.
What is the InChIKey of 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide?
The InChIKey is SFHYFRMTZIZJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4/c1-36(24-12-13-24)32(38)30-28-15-14-27(41-26-16-18-40-19-17-26)20-29(28)37(25-6-3-7-25)31(30)21-8-10-23(11-9-21)35-33(39)34-22-4-2-5-22/h8-11,14-15,20,22,24-26H,2-7,12-13,16-19H2,1H3,(H2,34,35,39).
What are the key properties of 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide?
1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 6.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-N-methyl-6-(oxan-4-yloxy)indole-3-carboxamide is sourced from PubChem (CID 59424936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).