1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea

C16H31N3O2 — CID 111438962

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-3-16(21,4-2)12-17-15(20)18-13-9-10-19(11-13)14-7-5-6-8-14/h13-14,21H,3-12H2,1-2H3,(H2,17,18,20)
InChIKeyULIKRDMHGQMSMQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.85
Rot. Bonds6

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea

1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 111438962) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID111438962
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-3-16(21,4-2)12-17-15(20)18-13-9-10-19(11-13)14-7-5-6-8-14/h13-14,21H,3-12H2,1-2H3,(H2,17,18,20)
InChIKeyULIKRDMHGQMSMQ-UHFFFAOYSA-N
XLogP1.85
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)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-(1-cyclopentylpyrrolidin-3-yl)-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111438961
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309401
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
CID 110461541

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea (CID 111438962) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is ULIKRDMHGQMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-16(21,4-2)12-17-15(20)18-13-9-10-19(11-13)14-7-5-6-8-14/h13-14,21H,3-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea?
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 297.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 111438962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).