N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide

C23H23NO4 — CID 1157314

IUPACN-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1
InChIInChI=1S/C23H23NO4/c1-27-19-12-10-16(11-13-19)15-24(18-7-3-4-8-18)22(25)20-14-17-6-2-5-9-21(17)28-23(20)26/h2,5-6,9-14,18H,3-4,7-8,15H2,1H3
InChIKeyGRFDUPOCEYKYGV-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.39
Rot. Bonds5

About N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide

N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 1157314) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID1157314
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1
InChIInChI=1S/C23H23NO4/c1-27-19-12-10-16(11-13-19)15-24(18-7-3-4-8-18)22(25)20-14-17-6-2-5-9-21(17)28-23(20)26/h2,5-6,9-14,18H,3-4,7-8,15H2,1H3
InChIKeyGRFDUPOCEYKYGV-UHFFFAOYSA-N
XLogP4.39
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide (CID 1157314) is N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide is COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is GRFDUPOCEYKYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-27-19-12-10-16(11-13-19)15-24(18-7-3-4-8-18)22(25)20-14-17-6-2-5-9-21(17)28-23(20)26/h2,5-6,9-14,18H,3-4,7-8,15H2,1H3.
What are the key properties of N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1157314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).