1-cyclopentyl-3-(3-hydroxybutyl)urea

C10H20N2O2 — CID 78964917

IUPAC1-cyclopentyl-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CCCC1
InChIInChI=1S/C10H20N2O2/c1-8(13)6-7-11-10(14)12-9-4-2-3-5-9/h8-9,13H,2-7H2,1H3,(H2,11,12,14)
InChIKeyPBYKSWYJUSWECK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.00
Rot. Bonds4

About 1-cyclopentyl-3-(3-hydroxybutyl)urea

1-cyclopentyl-3-(3-hydroxybutyl)urea (PubChem CID 78964917) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(3-hydroxybutyl)urea
PubChem CID78964917
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-cyclopentyl-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CCCC1
InChIInChI=1S/C10H20N2O2/c1-8(13)6-7-11-10(14)12-9-4-2-3-5-9/h8-9,13H,2-7H2,1H3,(H2,11,12,14)
InChIKeyPBYKSWYJUSWECK-UHFFFAOYSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877
1-(3-aminobutyl)-3-cyclohexylurea
CID 63253951
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
1-cyclopentyl-3-propylurea
CID 14343339
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
1-(2-ethylsulfanylcyclohexyl)-3-(3-hydroxybutyl)urea
CID 111841186
1-cyclobutyl-3-(5-hydroxy-4-methylpentyl)urea
CID 103860224

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-cyclopentyl-3-(3-hydroxybutyl)urea (CID 78964917) is 1-cyclopentyl-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(3-hydroxybutyl)urea?
The InChIKey is PBYKSWYJUSWECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)6-7-11-10(14)12-9-4-2-3-5-9/h8-9,13H,2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-cyclopentyl-3-(3-hydroxybutyl)urea?
1-cyclopentyl-3-(3-hydroxybutyl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 78964917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).