5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide

C20H22N2O — CID 11673936

IUPAC5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
SMILESCc1ccccc1NC(=O)CCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C20H22N2O/c1-15-8-2-5-11-18(15)22-20(23)13-7-4-10-17-14-16-9-3-6-12-19(16)21-17/h2-3,5-6,8-9,11-12,14,21H,4,7,10,13H2,1H3,(H,22,23)
InChIKeyORLQXHLCKHKASQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.83
Rot. Bonds6

About 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide

5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide (PubChem CID 11673936) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
PubChem CID11673936
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide
SMILESCc1ccccc1NC(=O)CCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C20H22N2O/c1-15-8-2-5-11-18(15)22-20(23)13-7-4-10-17-14-16-9-3-6-12-19(16)21-17/h2-3,5-6,8-9,11-12,14,21H,4,7,10,13H2,1H3,(H,22,23)
InChIKeyORLQXHLCKHKASQ-UHFFFAOYSA-N
XLogP4.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(1H-indol-2-yl)octanoic acid
CID 54343320
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
methyl 2-[[2-[3-(1H-indol-2-yl)propanoylamino]benzoyl]amino]benzoate
CID 10717995
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
4-(1H-indol-2-yl)butan-2-one
CID 10954278
4-(1H-indol-2-yl)butanoic acid;1-methylcyclopropene
CID 174808423
2-heptyl-1H-indole
CID 3719004
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-(2-methylphenyl)propanamide
CID 110390135
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide?
The IUPAC name of 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide (CID 11673936) is 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide.
What is the SMILES notation for 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide?
The canonical SMILES for 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide is Cc1ccccc1NC(=O)CCCCc1cc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide?
The InChIKey is ORLQXHLCKHKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-8-2-5-11-18(15)22-20(23)13-7-4-10-17-14-16-9-3-6-12-19(16)21-17/h2-3,5-6,8-9,11-12,14,21H,4,7,10,13H2,1H3,(H,22,23).
What are the key properties of 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide?
5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide has a molecular weight of 306.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-N-(2-methylphenyl)pentanamide is sourced from PubChem (CID 11673936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).