N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide

C19H38N2O3 — CID 138517805

IUPACN-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
SMILESCCCCC(=O)NCCCCCC(=O)NCCCC(C)(C)OCC
InChIInChI=1S/C19H38N2O3/c1-5-7-12-17(22)20-15-10-8-9-13-18(23)21-16-11-14-19(3,4)24-6-2/h5-16H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyHZXFEDOJDAVCCD-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.56
Rot. Bonds15

About N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide

N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide (PubChem CID 138517805) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide.

Molecular Properties

Compound NameN-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
PubChem CID138517805
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC NameN-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide
SMILESCCCCC(=O)NCCCCCC(=O)NCCCC(C)(C)OCC
InChIInChI=1S/C19H38N2O3/c1-5-7-12-17(22)20-15-10-8-9-13-18(23)21-16-11-14-19(3,4)24-6-2/h5-16H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyHZXFEDOJDAVCCD-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-tetradecylpentanamide
CID 87172595
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide?
The IUPAC name of N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide (CID 138517805) is N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide.
What is the SMILES notation for N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide?
The canonical SMILES for N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide is CCCCC(=O)NCCCCCC(=O)NCCCC(C)(C)OCC.
What is the InChIKey of N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide?
The InChIKey is HZXFEDOJDAVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-5-7-12-17(22)20-15-10-8-9-13-18(23)21-16-11-14-19(3,4)24-6-2/h5-16H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide?
N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide has a molecular weight of 342.52 g/mol, XLogP of 3.56, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-4-methylpentyl)-6-(pentanoylamino)hexanamide is sourced from PubChem (CID 138517805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).