1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea

C11H23N3O2 — CID 104593877

IUPAC1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
SMILESCC(O)CNCCNC(=O)NC1CCCC1
InChIInChI=1S/C11H23N3O2/c1-9(15)8-12-6-7-13-11(16)14-10-4-2-3-5-10/h9-10,12,15H,2-8H2,1H3,(H2,13,14,16)
InChIKeyJHEOLAAUZGEFDD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.20
Rot. Bonds6

About 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea

1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea (PubChem CID 104593877) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
PubChem CID104593877
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
SMILESCC(O)CNCCNC(=O)NC1CCCC1
InChIInChI=1S/C11H23N3O2/c1-9(15)8-12-6-7-13-11(16)14-10-4-2-3-5-10/h9-10,12,15H,2-8H2,1H3,(H2,13,14,16)
InChIKeyJHEOLAAUZGEFDD-UHFFFAOYSA-N
XLogP0.20
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclopentyl-3-propylurea
CID 14343339
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea (CID 104593877) is 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea is CC(O)CNCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea?
The InChIKey is JHEOLAAUZGEFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(15)8-12-6-7-13-11(16)14-10-4-2-3-5-10/h9-10,12,15H,2-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea?
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea has a molecular weight of 229.32 g/mol, XLogP of 0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea is sourced from PubChem (CID 104593877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).