N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide

C13H25NO2 — CID 81386458

IUPACN-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
SMILESC[C@H](NC(=O)CCCCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(12-7-3-2-4-8-12)14-13(16)9-5-6-10-15/h11-12,15H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyJCJQGUJLCJUGQJ-NSHDSACASA-N
MW227.35 g/mol
LogP2.23
Rot. Bonds6

About N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide

N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide (PubChem CID 81386458) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
PubChem CID81386458
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
SMILESC[C@H](NC(=O)CCCCO)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-11(12-7-3-2-4-8-12)14-13(16)9-5-6-10-15/h11-12,15H,2-10H2,1H3,(H,14,16)/t11-/m0/s1
InChIKeyJCJQGUJLCJUGQJ-NSHDSACASA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide (CID 81386458) is N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide is C[C@H](NC(=O)CCCCO)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide?
The InChIKey is JCJQGUJLCJUGQJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(12-7-3-2-4-8-12)14-13(16)9-5-6-10-15/h11-12,15H,2-10H2,1H3,(H,14,16)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide?
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide is sourced from PubChem (CID 81386458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).