N-heptadecyl-N-tridecylacetamide

C32H65NO — CID 172567567

IUPACN-heptadecyl-N-tridecylacetamide
SMILESCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C32H65NO/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-33(32(3)34)30-28-26-24-22-20-15-13-11-9-7-5-2/h4-31H2,1-3H3
InChIKeyGDVZXDCXSUFNNF-UHFFFAOYSA-N
MW479.88 g/mol
LogP11.02
Rot. Bonds28

About N-heptadecyl-N-tridecylacetamide

N-heptadecyl-N-tridecylacetamide (PubChem CID 172567567) has the molecular formula C32H65NO and a molecular weight of 479.88 g/mol. Its IUPAC name is N-heptadecyl-N-tridecylacetamide.

Molecular Properties

Compound NameN-heptadecyl-N-tridecylacetamide
PubChem CID172567567
Molecular FormulaC32H65NO
Molecular Weight479.88 g/mol
Exact Mass479.51
IUPAC NameN-heptadecyl-N-tridecylacetamide
SMILESCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C32H65NO/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-33(32(3)34)30-28-26-24-22-20-15-13-11-9-7-5-2/h4-31H2,1-3H3
InChIKeyGDVZXDCXSUFNNF-UHFFFAOYSA-N
XLogP11.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.88
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(icosyl)acetamide
CID 57063838
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N-(2-aminoethyl)-N-hexylacetamide
CID 174728155
methyl 5-[acetyl(dodecyl)amino]pentanoate
CID 14219899
N-(3-amino-3-sulfanylidenepropyl)-N-hexylacetamide
CID 82103796
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-decyl-N-tetradecylacetamide;hexane;methoxy(dimethyl)phosphane;propan-2-ol
CID 170646135
hexyl(octadecyl)carbamic acid
CID 87702094
N-acetyl-N-decylacetamide
CID 57029087
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
di(undecyl)carbamothioic S-acid
CID 87619632

Frequently Asked Questions

What is the IUPAC name of N-heptadecyl-N-tridecylacetamide?
The IUPAC name of N-heptadecyl-N-tridecylacetamide (CID 172567567) is N-heptadecyl-N-tridecylacetamide.
What is the SMILES notation for N-heptadecyl-N-tridecylacetamide?
The canonical SMILES for N-heptadecyl-N-tridecylacetamide is CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(C)=O.
What is the InChIKey of N-heptadecyl-N-tridecylacetamide?
The InChIKey is GDVZXDCXSUFNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-33(32(3)34)30-28-26-24-22-20-15-13-11-9-7-5-2/h4-31H2,1-3H3.
What are the key properties of N-heptadecyl-N-tridecylacetamide?
N-heptadecyl-N-tridecylacetamide has a molecular weight of 479.88 g/mol, XLogP of 11.02, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptadecyl-N-tridecylacetamide is sourced from PubChem (CID 172567567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).