1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea

C11H22N2O2 — CID 22499137

IUPAC1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea
SMILESCCNC(=O)NCCCC1CCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-2-12-11(15)13-7-3-4-9-5-6-10(14)8-9/h9-10,14H,2-8H2,1H3,(H2,12,13,15)
InChIKeyPGHSEODBEPVGOJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds5

About 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea

1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea (PubChem CID 22499137) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea
PubChem CID22499137
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea
SMILESCCNC(=O)NCCCC1CCC(O)C1
InChIInChI=1S/C11H22N2O2/c1-2-12-11(15)13-7-3-4-9-5-6-10(14)8-9/h9-10,14H,2-8H2,1H3,(H2,12,13,15)
InChIKeyPGHSEODBEPVGOJ-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea?
The IUPAC name of 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea (CID 22499137) is 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea?
The canonical SMILES for 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea is CCNC(=O)NCCCC1CCC(O)C1.
What is the InChIKey of 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea?
The InChIKey is PGHSEODBEPVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-12-11(15)13-7-3-4-9-5-6-10(14)8-9/h9-10,14H,2-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea?
1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(3-hydroxycyclopentyl)propyl]urea is sourced from PubChem (CID 22499137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).