1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea

C20H25N3O — CID 23852464

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c1-15-7-6-8-16(2)19(15)22-20(24)21-18-11-12-23(14-18)13-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyQZJYTHOIUKIYRQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.70
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea

1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea (PubChem CID 23852464) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
PubChem CID23852464
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H25N3O/c1-15-7-6-8-16(2)19(15)22-20(24)21-18-11-12-23(14-18)13-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H2,21,22,24)
InChIKeyQZJYTHOIUKIYRQ-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

1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2-methylphenyl)thiourea
CID 8657958
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea (CID 23852464) is 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is QZJYTHOIUKIYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-6-8-16(2)19(15)22-20(24)21-18-11-12-23(14-18)13-17-9-4-3-5-10-17/h3-10,18H,11-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea?
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-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-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 23852464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).