N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide

C20H19NO3 — CID 9297376

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO3/c1-3-17(14-10-8-13(2)9-11-14)21-19(22)16-12-15-6-4-5-7-18(15)24-20(16)23/h4-12,17H,3H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyPXFOOFMRYKVUTO-QGZVFWFLSA-N
MW321.38 g/mol
LogP3.98
Rot. Bonds4

About N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide

N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide (PubChem CID 9297376) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
PubChem CID9297376
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO3/c1-3-17(14-10-8-13(2)9-11-14)21-19(22)16-12-15-6-4-5-7-18(15)24-20(16)23/h4-12,17H,3H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyPXFOOFMRYKVUTO-QGZVFWFLSA-N
XLogP3.98
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.98
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

2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
N-[cyano-(4-methylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 110664192
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate
CID 7044549
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
CID 171915214
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
N-[1-(4-butan-2-ylphenyl)propyl]-6-chloro-2-oxochromene-3-carboxamide
CID 4090791
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 132650331
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide (CID 9297376) is N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide is CC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide?
The InChIKey is PXFOOFMRYKVUTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-17(14-10-8-13(2)9-11-14)21-19(22)16-12-15-6-4-5-7-18(15)24-20(16)23/h4-12,17H,3H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide?
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 9297376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).