1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea

C17H20N2O — CID 6470547

IUPAC1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C17H20N2O/c1-13-8-9-16(12-14(13)2)19-17(20)18-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyBRSRGRNDAPBCLJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.67
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea

1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea (PubChem CID 6470547) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
PubChem CID6470547
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2)cc1C
InChIInChI=1S/C17H20N2O/c1-13-8-9-16(12-14(13)2)19-17(20)18-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyBRSRGRNDAPBCLJ-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 108894116
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 69008943
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea (CID 6470547) is 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea is Cc1ccc(NC(=O)NCCc2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea?
The InChIKey is BRSRGRNDAPBCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-8-9-16(12-14(13)2)19-17(20)18-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea?
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea has a molecular weight of 268.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 6470547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).