1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea

C20H25N3O — CID 23905235

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C20H25N3O/c1-15-8-9-19(16(2)12-15)22-20(24)21-18-10-11-23(14-18)13-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyNQQMEDPCJDXFCB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.70
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea

1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea (PubChem CID 23905235) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
PubChem CID23905235
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C20H25N3O/c1-15-8-9-19(16(2)12-15)22-20(24)21-18-10-11-23(14-18)13-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H2,21,22,24)
InChIKeyNQQMEDPCJDXFCB-UHFFFAOYSA-N
XLogP3.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2-methylphenyl)thiourea
CID 8657958
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 47008045
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
3-[[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 146137624

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea (CID 23905235) is 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea?
The InChIKey is NQQMEDPCJDXFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-8-9-19(16(2)12-15)22-20(24)21-18-10-11-23(14-18)13-17-6-4-3-5-7-17/h3-9,12,18H,10-11,13-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea?
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea has a molecular weight of 323.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 23905235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).