N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide

C77H84N10O8 — CID 87787452

IUPACN-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCCC5)c5ccccc54)cc3)cc2OC)cc1.COc1cc(NC(=O)c2ccc(-n3cc(CN4CCCC4)c4ccccc43)cc2)ccc1Oc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C40H45N5O4.C37H39N5O4/c1-4-30(5-2)42-40(47)43-31-15-20-34(21-16-31)49-37-22-17-32(25-38(37)48-3)41-39(46)28-13-18-33(19-14-28)45-27-29(26-44-23-9-6-10-24-44)35-11-7-8-12-36(35)45;1-25(2)38-37(44)40-28-12-17-31(18-13-28)46-34-19-14-29(22-35(34)45-3)39-36(43)26-10-15-30(16-11-26)42-24-27(23-41-20-6-7-21-41)32-8-4-5-9-33(32)42/h7-8,11-22,25,27,30H,4-6,9-10,23-24,26H2,1-3H3,(H,41,46)(H2,42,43,47);4-5,8-19,22,24-25H,6-7,20-21,23H2,1-3H3,(H,39,43)(H2,38,40,44)
InChIKeyVIQYQZNLJIODOG-UHFFFAOYSA-N
MW1277.58 g/mol
LogP16.79
Rot. Bonds22

About N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide

N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide (PubChem CID 87787452) has the molecular formula C77H84N10O8 and a molecular weight of 1277.58 g/mol. Its IUPAC name is N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide
PubChem CID87787452
Molecular FormulaC77H84N10O8
Molecular Weight1277.58 g/mol
Exact Mass1276.65
IUPAC NameN-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCCC5)c5ccccc54)cc3)cc2OC)cc1.COc1cc(NC(=O)c2ccc(-n3cc(CN4CCCC4)c4ccccc43)cc2)ccc1Oc1ccc(NC(=O)NC(C)C)cc1
InChIInChI=1S/C40H45N5O4.C37H39N5O4/c1-4-30(5-2)42-40(47)43-31-15-20-34(21-16-31)49-37-22-17-32(25-38(37)48-3)41-39(46)28-13-18-33(19-14-28)45-27-29(26-44-23-9-6-10-24-44)35-11-7-8-12-36(35)45;1-25(2)38-37(44)40-28-12-17-31(18-13-28)46-34-19-14-29(22-35(34)45-3)39-36(43)26-10-15-30(16-11-26)42-24-27(23-41-20-6-7-21-41)32-8-4-5-9-33(32)42/h7-8,11-22,25,27,30H,4-6,9-10,23-24,26H2,1-3H3,(H,41,46)(H2,42,43,47);4-5,8-19,22,24-25H,6-7,20-21,23H2,1-3H3,(H,39,43)(H2,38,40,44)
InChIKeyVIQYQZNLJIODOG-UHFFFAOYSA-N
XLogP16.79
TPSA193.72 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001277.58
LogP ≤ 516.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
The IUPAC name of N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide (CID 87787452) is N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide.
What is the SMILES notation for N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
The canonical SMILES for N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide is CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCCC5)c5ccccc54)cc3)cc2OC)cc1.COc1cc(NC(=O)c2ccc(-n3cc(CN4CCCC4)c4ccccc43)cc2)ccc1Oc1ccc(NC(=O)NC(C)C)cc1.
What is the InChIKey of N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
The InChIKey is VIQYQZNLJIODOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45N5O4.C37H39N5O4/c1-4-30(5-2)42-40(47)43-31-15-20-34(21-16-31)49-37-22-17-32(25-38(37)48-3)41-39(46)28-13-18-33(19-14-28)45-27-29(26-44-23-9-6-10-24-44)35-11-7-8-12-36(35)45;1-25(2)38-37(44)40-28-12-17-31(18-13-28)46-34-19-14-29(22-35(34)45-3)39-36(43)26-10-15-30(16-11-26)42-24-27(23-41-20-6-7-21-41)32-8-4-5-9-33(32)42/h7-8,11-22,25,27,30H,4-6,9-10,23-24,26H2,1-3H3,(H,41,46)(H2,42,43,47);4-5,8-19,22,24-25H,6-7,20-21,23H2,1-3H3,(H,39,43)(H2,38,40,44).
What are the key properties of N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide?
N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide has a molecular weight of 1277.58 g/mol, XLogP of 16.79, 22 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[3-methoxy-4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]benzamide is sourced from PubChem (CID 87787452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).