1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea

C20H20N2O3 — CID 94756587

IUPAC1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
SMILESCc1cc(=O)oc2cc(NC(=O)NC[C@@H](C)c3ccccc3)ccc12
InChIInChI=1S/C20H20N2O3/c1-13-10-19(23)25-18-11-16(8-9-17(13)18)22-20(24)21-12-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyOLMZNNVPMWKTPO-CQSZACIVSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea

1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea (PubChem CID 94756587) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea.

Molecular Properties

Compound Name1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
PubChem CID94756587
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea
SMILESCc1cc(=O)oc2cc(NC(=O)NC[C@@H](C)c3ccccc3)ccc12
InChIInChI=1S/C20H20N2O3/c1-13-10-19(23)25-18-11-16(8-9-17(13)18)22-20(24)21-12-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyOLMZNNVPMWKTPO-CQSZACIVSA-N
XLogP4.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea 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-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
CID 47072840
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
ethyl N-[(1S)-3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxo-1-phenylpropyl]carbamate
CID 124548823
(3R)-N-(4-methyl-2-oxochromen-7-yl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126341390
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
1-(3,4-dimethoxyphenyl)-3-[(2S)-2-phenylpropyl]urea
CID 51944503
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
7-anilino-4-methylchromen-2-one
CID 804341
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 94776898
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea?
The IUPAC name of 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea (CID 94756587) is 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea.
What is the SMILES notation for 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea?
The canonical SMILES for 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea is Cc1cc(=O)oc2cc(NC(=O)NC[C@@H](C)c3ccccc3)ccc12.
What is the InChIKey of 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea?
The InChIKey is OLMZNNVPMWKTPO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-19(23)25-18-11-16(8-9-17(13)18)22-20(24)21-12-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,21,22,24)/t14-/m1/s1.
What are the key properties of 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea?
1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea has a molecular weight of 336.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-oxochromen-7-yl)-3-[(2S)-2-phenylpropyl]urea is sourced from PubChem (CID 94756587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).