2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide

C27H33N3O2 — CID 155514906

IUPAC2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCC1
InChIInChI=1S/C27H33N3O2/c1-18-8-7-9-19(2)26(18)30-27(32)24(29-25(31)15-14-20-10-3-4-11-20)16-21-17-28-23-13-6-5-12-22(21)23/h5-9,12-13,17,20,24,28H,3-4,10-11,14-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyWPQQJIKUSOXPPM-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.42
Rot. Bonds8

About 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide

2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 155514906) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID155514906
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCC1
InChIInChI=1S/C27H33N3O2/c1-18-8-7-9-19(2)26(18)30-27(32)24(29-25(31)15-14-20-10-3-4-11-20)16-21-17-28-23-13-6-5-12-22(21)23/h5-9,12-13,17,20,24,28H,3-4,10-11,14-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyWPQQJIKUSOXPPM-UHFFFAOYSA-N
XLogP5.42
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)-2-(3-phenylpropylamino)propanamide
CID 155526128
tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(4-iodo-2,6-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 92905906
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
4-cyclopentyl-1-(1H-indol-3-yl)butan-2-one
CID 11817694
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
CID 3110636
(2R)-N-(2-cyclohexylethyl)-3-(1H-indol-3-yl)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]propanamide
CID 137435225
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide (CID 155514906) is 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide is Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC1CCCC1.
What is the InChIKey of 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is WPQQJIKUSOXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-18-8-7-9-19(2)26(18)30-27(32)24(29-25(31)15-14-20-10-3-4-11-20)16-21-17-28-23-13-6-5-12-22(21)23/h5-9,12-13,17,20,24,28H,3-4,10-11,14-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide?
2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 431.58 g/mol, XLogP of 5.42, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropanoylamino)-N-(2,6-dimethylphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 155514906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).