1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea

C16H18N2O — CID 15856392

IUPAC1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
SMILESCc1ccc(N(C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13-9-11-15(12-10-13)18(16(19)17(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeySPVOGDKMLZENQR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.81
Rot. Bonds2

About 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea

1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea (PubChem CID 15856392) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
PubChem CID15856392
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
SMILESCc1ccc(N(C(=O)N(C)C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13-9-11-15(12-10-13)18(16(19)17(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeySPVOGDKMLZENQR-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[[4-[N-(dimethylcarbamoyl)anilino]phenyl]methyl]phenyl]-3,3-dimethyl-1-phenylurea
CID 66696852
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
CID 19733750
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
N-(4-methylphenyl)-N-phenylformamide
CID 11063734
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea?
The IUPAC name of 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea (CID 15856392) is 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea?
The canonical SMILES for 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea is Cc1ccc(N(C(=O)N(C)C)c2ccccc2)cc1.
What is the InChIKey of 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea?
The InChIKey is SPVOGDKMLZENQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-9-11-15(12-10-13)18(16(19)17(2)3)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea?
1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea has a molecular weight of 254.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea is sourced from PubChem (CID 15856392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).