N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

C25H21NO3 — CID 1432995

IUPACN-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21NO3/c27-24(22-17-21-13-7-8-14-23(21)29-25(22)28)26(18-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2
InChIKeyJYMLKCWPDRCLLW-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.68
Rot. Bonds6

About N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 1432995) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID1432995
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21NO3/c27-24(22-17-21-13-7-8-14-23(21)29-25(22)28)26(18-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2
InChIKeyJYMLKCWPDRCLLW-UHFFFAOYSA-N
XLogP4.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 1433119
N',N'-dibenzyl-2-oxochromene-3-carbohydrazide
CID 9293863
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 42796265
2-oxochromene-3-carboxylic acid
CID 161011590
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54511869
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 1432995) is N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is JYMLKCWPDRCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-24(22-17-21-13-7-8-14-23(21)29-25(22)28)26(18-20-11-5-2-6-12-20)16-15-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2.
What are the key properties of N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 1432995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).