1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea

C16H30N2O2 — CID 91651955

IUPAC1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea
SMILESCC(CCC1CCCC1)NC(=O)NCC1CCC(O)C1
InChIInChI=1S/C16H30N2O2/c1-12(6-7-13-4-2-3-5-13)18-16(20)17-11-14-8-9-15(19)10-14/h12-15,19H,2-11H2,1H3,(H2,17,18,20)
InChIKeyFKIDBOPULORNIA-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea

1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea (PubChem CID 91651955) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea
PubChem CID91651955
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea
SMILESCC(CCC1CCCC1)NC(=O)NCC1CCC(O)C1
InChIInChI=1S/C16H30N2O2/c1-12(6-7-13-4-2-3-5-13)18-16(20)17-11-14-8-9-15(19)10-14/h12-15,19H,2-11H2,1H3,(H2,17,18,20)
InChIKeyFKIDBOPULORNIA-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea (CID 91651955) is 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea is CC(CCC1CCCC1)NC(=O)NCC1CCC(O)C1.
What is the InChIKey of 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea?
The InChIKey is FKIDBOPULORNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(6-7-13-4-2-3-5-13)18-16(20)17-11-14-8-9-15(19)10-14/h12-15,19H,2-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea?
1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea has a molecular weight of 282.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylbutan-2-yl)-3-[(3-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 91651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).