N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide

C12H21NO3 — CID 106135913

IUPACN-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C12H21NO3/c1-9(14)5-6-12(16)13-8-10-3-2-4-11(15)7-10/h10-11,15H,2-8H2,1H3,(H,13,16)
InChIKeyUIULZQRSIVSDCR-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.02
Rot. Bonds5

About N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide

N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide (PubChem CID 106135913) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
PubChem CID106135913
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C12H21NO3/c1-9(14)5-6-12(16)13-8-10-3-2-4-11(15)7-10/h10-11,15H,2-8H2,1H3,(H,13,16)
InChIKeyUIULZQRSIVSDCR-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719
4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 111459727
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
CID 103908789
4-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]-4-oxobutanamide
CID 111460092

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide (CID 106135913) is N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide is CC(=O)CCC(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide?
The InChIKey is UIULZQRSIVSDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(14)5-6-12(16)13-8-10-3-2-4-11(15)7-10/h10-11,15H,2-8H2,1H3,(H,13,16).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide?
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide has a molecular weight of 227.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide is sourced from PubChem (CID 106135913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).