1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea

C13H19N3O — CID 110459954

IUPAC1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCN(C)C(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-15(2)13(17)14-11-8-9-16(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17)
InChIKeyJAZNAAZQXMQHHZ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.54
Rot. Bonds2

About 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea

1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea (PubChem CID 110459954) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
PubChem CID110459954
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
SMILESCN(C)C(=O)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C13H19N3O/c1-15(2)13(17)14-11-8-9-16(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17)
InChIKeyJAZNAAZQXMQHHZ-UHFFFAOYSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-cyclopropyl-1-(2-hydroxyethyl)-3-(1-phenylpyrrolidin-3-yl)urea
CID 111106606
N,N-dimethyl-2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]acetamide
CID 119149781
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide
CID 110040251
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110040250
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea (CID 110459954) is 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea is CN(C)C(=O)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea?
The InChIKey is JAZNAAZQXMQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(2)13(17)14-11-8-9-16(10-11)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17).
What are the key properties of 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea?
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea has a molecular weight of 233.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 110459954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).