4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide

C29H37N3O3 — CID 70968028

IUPAC4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CNC3CCC(C)(O)CC3)n(C)c12
InChIInChI=1S/C29H37N3O3/c1-19-26(31-28(33)21-6-9-25(10-7-21)35-18-20-4-5-20)11-8-22-16-24(32(3)27(19)22)17-30-23-12-14-29(2,34)15-13-23/h6-11,16,20,23,30,34H,4-5,12-15,17-18H2,1-3H3,(H,31,33)
InChIKeyPFMKJKHKLISEFQ-UHFFFAOYSA-N
MW475.63 g/mol
LogP5.31
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide

4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide (PubChem CID 70968028) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide
PubChem CID70968028
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Name4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide
SMILESCc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CNC3CCC(C)(O)CC3)n(C)c12
InChIInChI=1S/C29H37N3O3/c1-19-26(31-28(33)21-6-9-25(10-7-21)35-18-20-4-5-20)11-8-22-16-24(32(3)27(19)22)17-30-23-12-14-29(2,34)15-13-23/h6-11,16,20,23,30,34H,4-5,12-15,17-18H2,1-3H3,(H,31,33)
InChIKeyPFMKJKHKLISEFQ-UHFFFAOYSA-N
XLogP5.31
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-N-[2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-7-methyl-1H-indol-6-yl]benzamide
CID 70967908
4-(cyclopropylmethoxy)-N-(2-formyl-1,4-dimethylindol-5-yl)benzamide
CID 89147467
4-(cyclopropylmethoxy)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435902
4-(cyclopropylmethoxy)-N-[8-fluoro-3-[(thian-4-ylamino)methyl]quinolin-7-yl]benzamide
CID 58111660
4-(2-cyclopropylethoxy)-N-[8-methyl-3-[(thian-4-ylamino)methyl]quinolin-7-yl]benzamide
CID 58111661
2-fluoro-N-[2-(hydroxymethyl)-1,7-dimethylindol-6-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 70968034
N-(2-amino-5-methoxyphenyl)-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119421075
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(4-methylsulfonylbutylamino)methyl]quinolin-7-yl]benzamide
CID 58111639
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119439579
4-(cyclopropylmethoxy)-N-[3-[[3-(1,1-difluoroethylsulfonyl)propylamino]methyl]-8-methylquinolin-7-yl]benzamide
CID 58111701
4-(cyclopropylmethoxy)-N-[6-(hydroxymethyl)naphthalen-2-yl]benzamide
CID 58111737
N-(3-formyl-8-methylquinolin-7-yl)-4-(oxolan-3-ylmethoxy)benzamide
CID 87126681

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide (CID 70968028) is 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide is Cc1c(NC(=O)c2ccc(OCC3CC3)cc2)ccc2cc(CNC3CCC(C)(O)CC3)n(C)c12.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide?
The InChIKey is PFMKJKHKLISEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-19-26(31-28(33)21-6-9-25(10-7-21)35-18-20-4-5-20)11-8-22-16-24(32(3)27(19)22)17-30-23-12-14-29(2,34)15-13-23/h6-11,16,20,23,30,34H,4-5,12-15,17-18H2,1-3H3,(H,31,33).
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide?
4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide has a molecular weight of 475.63 g/mol, XLogP of 5.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-[[(4-hydroxy-4-methylcyclohexyl)amino]methyl]-1,7-dimethylindol-6-yl]benzamide is sourced from PubChem (CID 70968028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).