N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide

C14H28N2O3 — CID 145077831

IUPACN-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
SMILESCCCCCC(=O)NCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C14H28N2O3/c1-4-5-6-7-12(18)15-8-9-16-13(19)10-14(2,3)11-17/h17H,4-11H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWZNHRUYPGBHVEQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.21
Rot. Bonds10

About N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide

N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide (PubChem CID 145077831) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
PubChem CID145077831
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
SMILESCCCCCC(=O)NCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C14H28N2O3/c1-4-5-6-7-12(18)15-8-9-16-13(19)10-14(2,3)11-17/h17H,4-11H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyWZNHRUYPGBHVEQ-UHFFFAOYSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.21
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

(2R)-N-[2-(hexanoylamino)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 121329367
N,N'-1,2-ethanediylbis(4-hydroxypentanamide)
CID 2828251
N-heptyl-4-hydroxy-2-methylbutanamide
CID 2807485
N-(2-aminoethyl)-4-hydroxypentanamide
CID 13715416
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
N-(4-hydroxybutyl)-2-methylhexanamide
CID 23563441
N-(2-aminoethyl)-4-hydroxy-2-methylbutanamide
CID 53795544
N-ethyl-4-hydroxy-2-methylhexanamide
CID 53875836
N-hexyl-4-hydroxy-2-methylhexanamide
CID 54052587
N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
CID 57198564
N-(4,4-dimethylpentyl)-4-hydroxybutanamide
CID 58520411
3-(hydroxymethyl)-N-propylpentanamide
CID 59193505

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide (CID 145077831) is N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide is CCCCCC(=O)NCCNC(=O)CC(C)(C)CO.
What is the InChIKey of N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
The InChIKey is WZNHRUYPGBHVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-5-6-7-12(18)15-8-9-16-13(19)10-14(2,3)11-17/h17H,4-11H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide has a molecular weight of 272.39 g/mol, XLogP of 1.21, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hexanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 145077831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).