N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide

C21H21NO3 — CID 16551195

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C21H21NO3/c1-3-7-18(15-8-5-4-6-9-15)21(24)22-16-10-11-17-14(2)12-20(23)25-19(17)13-16/h4-6,8-13,18H,3,7H2,1-2H3,(H,22,24)
InChIKeyINFZUFVDGCQFKI-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.62
Rot. Bonds5

About N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide

N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide (PubChem CID 16551195) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
PubChem CID16551195
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C21H21NO3/c1-3-7-18(15-8-5-4-6-9-15)21(24)22-16-10-11-17-14(2)12-20(23)25-19(17)13-16/h4-6,8-13,18H,3,7H2,1-2H3,(H,22,24)
InChIKeyINFZUFVDGCQFKI-UHFFFAOYSA-N
XLogP4.62
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
CID 94756587
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
ethyl N-[(1S)-3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxo-1-phenylpropyl]carbamate
CID 124548823
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-sulfanylbutanamide
CID 71774819
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
(3R)-3-(3-carboxypropanoylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid
CID 102186404
(2S)-2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
CID 129319301
N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
CID 47072840
benzyl (3S)-3-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate;hydrochloride
CID 74889748
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-N'-tritylbutanediamide
CID 102005856

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide (CID 16551195) is N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide is CCCC(C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1ccccc1.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide?
The InChIKey is INFZUFVDGCQFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-7-18(15-8-5-4-6-9-15)21(24)22-16-10-11-17-14(2)12-20(23)25-19(17)13-16/h4-6,8-13,18H,3,7H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide?
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide has a molecular weight of 335.40 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide is sourced from PubChem (CID 16551195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).