1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea

C17H18N2O3 — CID 2954642

IUPAC1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)c(C)c1
InChIInChI=1S/C17H18N2O3/c1-11-10-15(22-3)8-9-16(11)19-17(21)18-14-6-4-13(5-7-14)12(2)20/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyQDYDCPDRRQQNFH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea

1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 2954642) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
PubChem CID2954642
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)c(C)c1
InChIInChI=1S/C17H18N2O3/c1-11-10-15(22-3)8-9-16(11)19-17(21)18-14-6-4-13(5-7-14)12(2)20/h4-10H,1-3H3,(H2,18,19,21)
InChIKeyQDYDCPDRRQQNFH-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyethoxy)-2-methylphenyl]-3-(4-methoxyphenyl)urea
CID 51088888
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
ethyl 3-[(4-methoxy-2-methylphenyl)carbamoylamino]benzoate
CID 46860218
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea (CID 2954642) is 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C(C)=O)cc2)c(C)c1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is QDYDCPDRRQQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-10-15(22-3)8-9-16(11)19-17(21)18-14-6-4-13(5-7-14)12(2)20/h4-10H,1-3H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea?
1-(4-acetylphenyl)-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 298.34 g/mol, XLogP of 3.85, 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-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 2954642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).