N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide

C35H43N3O4 — CID 69195125

IUPACN-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCCN(C(=O)C(CCC1CCCCC1)NC(=O)c1cccc(OC)c1)N1CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C35H43N3O4/c1-3-37(38-22-21-28-23-31(18-20-33(28)38)42-25-27-13-8-5-9-14-27)35(40)32(19-17-26-11-6-4-7-12-26)36-34(39)29-15-10-16-30(24-29)41-2/h5,8-10,13-16,18,20,23-24,26,32H,3-4,6-7,11-12,17,19,21-22,25H2,1-2H3,(H,36,39)
InChIKeyGUCAKTCJNWPRMV-UHFFFAOYSA-N
MW569.75 g/mol
LogP6.56
Rot. Bonds12

About N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide

N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide (PubChem CID 69195125) has the molecular formula C35H43N3O4 and a molecular weight of 569.75 g/mol. Its IUPAC name is N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide
PubChem CID69195125
Molecular FormulaC35H43N3O4
Molecular Weight569.75 g/mol
Exact Mass569.33
IUPAC NameN-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCCN(C(=O)C(CCC1CCCCC1)NC(=O)c1cccc(OC)c1)N1CCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C35H43N3O4/c1-3-37(38-22-21-28-23-31(18-20-33(28)38)42-25-27-13-8-5-9-14-27)35(40)32(19-17-26-11-6-4-7-12-26)36-34(39)29-15-10-16-30(24-29)41-2/h5,8-10,13-16,18,20,23-24,26,32H,3-4,6-7,11-12,17,19,21-22,25H2,1-2H3,(H,36,39)
InChIKeyGUCAKTCJNWPRMV-UHFFFAOYSA-N
XLogP6.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-2-[[3-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoic acid
CID 66912825
N-[(2S)-3-cyclohexyl-1-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
CID 69195896
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779558
2-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119223350
N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide
CID 93151357
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-(cyclooctylmethoxy)benzoic acid
CID 58347494

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide (CID 69195125) is N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide is CCN(C(=O)C(CCC1CCCCC1)NC(=O)c1cccc(OC)c1)N1CCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide?
The InChIKey is GUCAKTCJNWPRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O4/c1-3-37(38-22-21-28-23-31(18-20-33(28)38)42-25-27-13-8-5-9-14-27)35(40)32(19-17-26-11-6-4-7-12-26)36-34(39)29-15-10-16-30(24-29)41-2/h5,8-10,13-16,18,20,23-24,26,32H,3-4,6-7,11-12,17,19,21-22,25H2,1-2H3,(H,36,39).
What are the key properties of N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide?
N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide has a molecular weight of 569.75 g/mol, XLogP of 6.56, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclohexyl-1-[ethyl-(5-phenylmethoxy-2,3-dihydroindol-1-yl)amino]-1-oxobutan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 69195125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).