1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea

C20H22N2O3 — CID 75523226

IUPAC1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(23)15-7-9-17(10-8-15)21-20(24)22-18-11-12-25-19(13-18)16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H2,21,22,24)
InChIKeyKUJWLSCDQGSWNB-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea

1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea (PubChem CID 75523226) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
PubChem CID75523226
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(23)15-7-9-17(10-8-15)21-20(24)22-18-11-12-25-19(13-18)16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H2,21,22,24)
InChIKeyKUJWLSCDQGSWNB-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)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

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-phenyloxan-4-yl)urea
CID 75478295
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
4-[[(2-phenyloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122010133
1-(5-fluoro-2-pyridinyl)-3-[(2S,4S)-2-phenyloxan-4-yl]urea
CID 99601199
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595
1-(4-acetylphenyl)-3-(2-methyloxolan-3-yl)urea
CID 82736980
1-[(2R,4S)-2-phenyloxan-4-yl]-3-(2-propan-2-yloxyethyl)urea
CID 99622073
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
cis-(1R,3S)-2,2-dimethyl-3-[(2-phenyloxan-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122066668
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(2R,4S)-2-phenyloxan-4-yl]urea
CID 97308509
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea (CID 75523226) is 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea is CC(=O)c1ccc(NC(=O)NC2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea?
The InChIKey is KUJWLSCDQGSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(23)15-7-9-17(10-8-15)21-20(24)22-18-11-12-25-19(13-18)16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea?
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea is sourced from PubChem (CID 75523226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).