1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea

C17H21N3O — CID 5096263

IUPAC1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-5-6-15(11-13(12)2)19-17(21)18-14-7-9-16(10-8-14)20(3)4/h5-11H,1-4H3,(H2,18,19,21)
InChIKeyAFFCZMKFUDRSBN-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea

1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 5096263) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
PubChem CID5096263
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-5-6-15(11-13(12)2)19-17(21)18-14-7-9-16(10-8-14)20(3)4/h5-11H,1-4H3,(H2,18,19,21)
InChIKeyAFFCZMKFUDRSBN-UHFFFAOYSA-N
XLogP4.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(dimethylamino)phenyl]urea
CID 753189
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea (CID 5096263) is 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is AFFCZMKFUDRSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-6-15(11-13(12)2)19-17(21)18-14-7-9-16(10-8-14)20(3)4/h5-11H,1-4H3,(H2,18,19,21).
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea?
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 283.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 5096263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).