1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea

C20H25N3O — CID 112985056

IUPAC1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O/c1-15(2)23(14-16-6-4-3-5-7-16)19-12-10-18(11-13-19)22-20(24)21-17-8-9-17/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H2,21,22,24)
InChIKeyOPFKKNJSWXPKPB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.39
Rot. Bonds6

About 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea

1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea (PubChem CID 112985056) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
PubChem CID112985056
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C20H25N3O/c1-15(2)23(14-16-6-4-3-5-7-16)19-12-10-18(11-13-19)22-20(24)21-17-8-9-17/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H2,21,22,24)
InChIKeyOPFKKNJSWXPKPB-UHFFFAOYSA-N
XLogP4.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea 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

5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
CID 113044481
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 47056970
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
4-(cyclopropylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 39884786
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030195
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
1-[(1R,5S)-8-benzyl-8-azoniabicyclo[3.2.1]octan-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 7402582

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea (CID 112985056) is 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea is CC(C)N(Cc1ccccc1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea?
The InChIKey is OPFKKNJSWXPKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)23(14-16-6-4-3-5-7-16)19-12-10-18(11-13-19)22-20(24)21-17-8-9-17/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea?
1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea has a molecular weight of 323.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 112985056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).