1-(2-methylphenyl)-3-(1-phenylethyl)urea

C16H18N2O — CID 19165597

IUPAC1-(2-methylphenyl)-3-(1-phenylethyl)urea
SMILESCc1ccccc1NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-12-8-6-7-11-15(12)18-16(19)17-13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,17,18,19)
InChIKeyZZDCGGRJTTVSHP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.88
Rot. Bonds3

About 1-(2-methylphenyl)-3-(1-phenylethyl)urea

1-(2-methylphenyl)-3-(1-phenylethyl)urea (PubChem CID 19165597) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(1-phenylethyl)urea
PubChem CID19165597
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2-methylphenyl)-3-(1-phenylethyl)urea
SMILESCc1ccccc1NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-12-8-6-7-11-15(12)18-16(19)17-13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,17,18,19)
InChIKeyZZDCGGRJTTVSHP-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
3-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196856
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
2-[(2,2-diphenylacetyl)amino]-N-(2-methylphenyl)propanamide
CID 42702223
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
3,3-dimethyl-2-[(2-methylphenyl)carbamoylamino]butanoic acid
CID 61196857
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
1-[9-oxo-5-[[(1S)-1-phenylethyl]carbamoylamino]-10H-acridin-4-yl]-3-[(1S)-1-phenylethyl]urea
CID 132598320

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(1-phenylethyl)urea (CID 19165597) is 1-(2-methylphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(1-phenylethyl)urea is Cc1ccccc1NC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-3-(1-phenylethyl)urea?
The InChIKey is ZZDCGGRJTTVSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-8-6-7-11-15(12)18-16(19)17-13(2)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methylphenyl)-3-(1-phenylethyl)urea?
1-(2-methylphenyl)-3-(1-phenylethyl)urea has a molecular weight of 254.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 19165597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).