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

C19H17NO4 — CID 16551217

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(C)Oc3ccccc3)ccc12
InChIInChI=1S/C19H17NO4/c1-12-10-18(21)24-17-11-14(8-9-16(12)17)20-19(22)13(2)23-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,20,22)
InChIKeyJSXXGLCXYDEDSH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.51
Rot. Bonds4

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

N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide (PubChem CID 16551217) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
PubChem CID16551217
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
SMILESCc1cc(=O)oc2cc(NC(=O)C(C)Oc3ccccc3)ccc12
InChIInChI=1S/C19H17NO4/c1-12-10-18(21)24-17-11-14(8-9-16(12)17)20-19(22)13(2)23-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,20,22)
InChIKeyJSXXGLCXYDEDSH-UHFFFAOYSA-N
XLogP3.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide 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

(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
CID 94332276
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 2206819
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
methyl 2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1177917
N-dibenzofuran-3-yl-2-(3,4-dimethylphenoxy)propanamide
CID 133211026

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide (CID 16551217) is N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide is Cc1cc(=O)oc2cc(NC(=O)C(C)Oc3ccccc3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide?
The InChIKey is JSXXGLCXYDEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-10-18(21)24-17-11-14(8-9-16(12)17)20-19(22)13(2)23-15-6-4-3-5-7-15/h3-11,13H,1-2H3,(H,20,22).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide?
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide has a molecular weight of 323.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide is sourced from PubChem (CID 16551217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).