1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea

C19H23N3O — CID 23738363

IUPAC1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-13-16-21-14-7-8-15-21)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,20,23)
InChIKeyJDUVARXHIPGXDC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.63
Rot. Bonds5

About 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea

1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea (PubChem CID 23738363) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
PubChem CID23738363
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea
SMILESO=C(NCCN1CCCC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c23-19(20-13-16-21-14-7-8-15-21)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,20,23)
InChIKeyJDUVARXHIPGXDC-UHFFFAOYSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-diphenyl-3-(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

2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
CID 62634827
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
2-[2-(azepan-1-yl)ethylsulfanyl]-N,N-diphenylacetamide
CID 134064776
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
benzhydryl N-(2-piperidin-1-ylethyl)carbamate
CID 171986616
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea (CID 23738363) is 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea is O=C(NCCN1CCCC1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea?
The InChIKey is JDUVARXHIPGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(20-13-16-21-14-7-8-15-21)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,20,23).
What are the key properties of 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea?
1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea has a molecular weight of 309.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-(2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 23738363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).