1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea

C19H22N4O — CID 52504835

IUPAC1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)N(C)C)cc1
InChIInChI=1S/C19H22N4O/c1-14-4-8-16(9-5-14)18(23(2)3)13-21-19(24)22-17-10-6-15(12-20)7-11-17/h4-11,18H,13H2,1-3H3,(H2,21,22,24)/t18-/m1/s1
InChIKeyNQGSJEWEBZHHPB-GOSISDBHSA-N
MW322.41 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea

1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea (PubChem CID 52504835) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
PubChem CID52504835
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)N(C)C)cc1
InChIInChI=1S/C19H22N4O/c1-14-4-8-16(9-5-14)18(23(2)3)13-21-19(24)22-17-10-6-15(12-20)7-11-17/h4-11,18H,13H2,1-3H3,(H2,21,22,24)/t18-/m1/s1
InChIKeyNQGSJEWEBZHHPB-GOSISDBHSA-N
XLogP3.29
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
1-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 95191116
1-(4-cyanophenyl)-3-[2-methyl-3-(methylamino)propyl]urea
CID 113282530
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
1-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea
CID 56519582
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
3-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,1-diethylurea
CID 60597801
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea (CID 52504835) is 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea is Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2)N(C)C)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
The InChIKey is NQGSJEWEBZHHPB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-4-8-16(9-5-14)18(23(2)3)13-21-19(24)22-17-10-6-15(12-20)7-11-17/h4-11,18H,13H2,1-3H3,(H2,21,22,24)/t18-/m1/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea?
1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea has a molecular weight of 322.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 52504835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).