1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

C21H27N3O — CID 46555638

IUPAC1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCc1ccc(CNC(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O/c1-17-9-11-18(12-10-17)15-22-21(25)23-16-20(24-13-5-6-14-24)19-7-3-2-4-8-19/h2-4,7-12,20H,5-6,13-16H2,1H3,(H2,22,23,25)
InChIKeyMESVSZPCCMIRKB-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.63
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 46555638) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID46555638
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCc1ccc(CNC(=O)NCC(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H27N3O/c1-17-9-11-18(12-10-17)15-22-21(25)23-16-20(24-13-5-6-14-24)19-7-3-2-4-8-19/h2-4,7-12,20H,5-6,13-16H2,1H3,(H2,22,23,25)
InChIKeyMESVSZPCCMIRKB-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)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-[(3-fluoro-4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 43063545
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 60607590
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 46555638) is 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is Cc1ccc(CNC(=O)NCC(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is MESVSZPCCMIRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-9-11-18(12-10-17)15-22-21(25)23-16-20(24-13-5-6-14-24)19-7-3-2-4-8-19/h2-4,7-12,20H,5-6,13-16H2,1H3,(H2,22,23,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 337.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 46555638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).