1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea

C22H29N3O — CID 113214100

IUPAC1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCC2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-4-25(5-2)20-12-10-19(11-13-20)24-21(26)23-16-22(14-15-22)18-8-6-17(3)7-9-18/h6-13H,4-5,14-16H2,1-3H3,(H2,23,24,26)
InChIKeyMRPQXLCSRCWTKD-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.69
Rot. Bonds7

About 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea

1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea (PubChem CID 113214100) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
PubChem CID113214100
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
SMILESCCN(CC)c1ccc(NC(=O)NCC2(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-4-25(5-2)20-12-10-19(11-13-20)24-21(26)23-16-22(14-15-22)18-8-6-17(3)7-9-18/h6-13H,4-5,14-16H2,1-3H3,(H2,23,24,26)
InChIKeyMRPQXLCSRCWTKD-UHFFFAOYSA-N
XLogP4.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]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-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-(4-propan-2-ylphenyl)urea
CID 113214060
1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
1-(2,6-dimethylphenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214053
1-butyl-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113213956
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
1-N'-[4-(diethylamino)-2-methylphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980933
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea (CID 113214100) is 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea is CCN(CC)c1ccc(NC(=O)NCC2(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
The InChIKey is MRPQXLCSRCWTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-25(5-2)20-12-10-19(11-13-20)24-21(26)23-16-22(14-15-22)18-8-6-17(3)7-9-18/h6-13H,4-5,14-16H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea?
1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea has a molecular weight of 351.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).