N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide

C21H20N2O4 — CID 86835457

IUPACN-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O4/c1-3-23(4-2)20(25)15-10-6-7-11-17(15)22-19(24)16-13-14-9-5-8-12-18(14)27-21(16)26/h5-13H,3-4H2,1-2H3,(H,22,24)
InChIKeyUGIHZNYEYLKMHD-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide

N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 86835457) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID86835457
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O4/c1-3-23(4-2)20(25)15-10-6-7-11-17(15)22-19(24)16-13-14-9-5-8-12-18(14)27-21(16)26/h5-13H,3-4H2,1-2H3,(H,22,24)
InChIKeyUGIHZNYEYLKMHD-UHFFFAOYSA-N
XLogP3.53
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-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

3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-oxochromene-3-carboxamide
CID 18112982
N-(2H-benzotriazol-4-yl)-2-oxochromene-3-carboxamide
CID 110745226
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 89114835
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide (CID 86835457) is N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide is CCN(CC)C(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is UGIHZNYEYLKMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-23(4-2)20(25)15-10-6-7-11-17(15)22-19(24)16-13-14-9-5-8-12-18(14)27-21(16)26/h5-13H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 86835457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).