5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide

C12H23NO3 — CID 106137719

IUPAC5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
SMILESO=C(CCCCO)NCC1CCCC(O)C1
InChIInChI=1S/C12H23NO3/c14-7-2-1-6-12(16)13-9-10-4-3-5-11(15)8-10/h10-11,14-15H,1-9H2,(H,13,16)
InChIKeyNIWXMQLESYMHKN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.82
Rot. Bonds6

About 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide

5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide (PubChem CID 106137719) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
PubChem CID106137719
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
SMILESO=C(CCCCO)NCC1CCCC(O)C1
InChIInChI=1S/C12H23NO3/c14-7-2-1-6-12(16)13-9-10-4-3-5-11(15)8-10/h10-11,14-15H,1-9H2,(H,13,16)
InChIKeyNIWXMQLESYMHKN-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106128030
N-[(3-hydroxycyclohexyl)methyl]hept-6-ynamide
CID 103908789
4-ethoxy-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103690736
N-[4-[(3-hydroxycyclohexyl)methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 111459727
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164
5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
3-ethylsulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460060
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide (CID 106137719) is 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide is O=C(CCCCO)NCC1CCCC(O)C1.
What is the InChIKey of 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide?
The InChIKey is NIWXMQLESYMHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c14-7-2-1-6-12(16)13-9-10-4-3-5-11(15)8-10/h10-11,14-15H,1-9H2,(H,13,16).
What are the key properties of 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide?
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide is sourced from PubChem (CID 106137719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).