1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea

C21H27N3O — CID 110403915

IUPAC1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCc1ccccc1)NCC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C21H27N3O/c25-21(22-16-19-11-5-2-6-12-19)23-17-20(24-13-7-8-14-24)15-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H2,22,23,25)
InChIKeyVHTRTEQFWSYFLL-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.19
Rot. Bonds7

About 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea

1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea (PubChem CID 110403915) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
PubChem CID110403915
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCc1ccccc1)NCC(Cc1ccccc1)N1CCCC1
InChIInChI=1S/C21H27N3O/c25-21(22-16-19-11-5-2-6-12-19)23-17-20(24-13-7-8-14-24)15-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H2,22,23,25)
InChIKeyVHTRTEQFWSYFLL-UHFFFAOYSA-N
XLogP3.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)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

methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea;methane
CID 159423751
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
3-acetamido-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110420824
1-(2-morpholin-4-yl-3-phenylpropyl)-3-propylurea
CID 110403837
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
1-benzyl-3-(2-methyl-3-phenylpropyl)urea
CID 110355137

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea (CID 110403915) is 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea is O=C(NCc1ccccc1)NCC(Cc1ccccc1)N1CCCC1.
What is the InChIKey of 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea?
The InChIKey is VHTRTEQFWSYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(22-16-19-11-5-2-6-12-19)23-17-20(24-13-7-8-14-24)15-18-9-3-1-4-10-18/h1-6,9-12,20H,7-8,13-17H2,(H2,22,23,25).
What are the key properties of 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea?
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea has a molecular weight of 337.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 110403915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).