N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide

C31H33N3O2 — CID 3110641

IUPACN-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
SMILESO=C(NC1CCCCC1)C(Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33N3O2/c35-30(33-25-16-8-3-9-17-25)28(20-24-21-32-27-19-11-10-18-26(24)27)34-31(36)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-2,4-7,10-15,18-19,21,25,28-29,32H,3,8-9,16-17,20H2,(H,33,35)(H,34,36)
InChIKeyJTEIKSXOXPVUNG-UHFFFAOYSA-N
MW479.62 g/mol
LogP5.48
Rot. Bonds8

About N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide

N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide (PubChem CID 3110641) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
PubChem CID3110641
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC NameN-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
SMILESO=C(NC1CCCCC1)C(Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33N3O2/c35-30(33-25-16-8-3-9-17-25)28(20-24-21-32-27-19-11-10-18-26(24)27)34-31(36)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-2,4-7,10-15,18-19,21,25,28-29,32H,3,8-9,16-17,20H2,(H,33,35)(H,34,36)
InChIKeyJTEIKSXOXPVUNG-UHFFFAOYSA-N
XLogP5.48
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
benzyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 9209002
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 26001788
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
methyl (2R)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 1240851
benzyl N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7997575
2-(benzylcarbamoylamino)-N-cyclopropyl-3-(1H-indol-3-yl)propanamide
CID 110625943
(3S)-N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52994169
2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
CID 3110636
N-[1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4967053
N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 110286344

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide (CID 3110641) is N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide is O=C(NC1CCCCC1)C(Cc1c[nH]c2ccccc12)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide?
The InChIKey is JTEIKSXOXPVUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c35-30(33-25-16-8-3-9-17-25)28(20-24-21-32-27-19-11-10-18-26(24)27)34-31(36)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-2,4-7,10-15,18-19,21,25,28-29,32H,3,8-9,16-17,20H2,(H,33,35)(H,34,36).
What are the key properties of N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide?
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide has a molecular weight of 479.62 g/mol, XLogP of 5.48, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 3110641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).