N,N-di(icosyl)acetamide

C42H85NO — CID 57063838

IUPACN,N-di(icosyl)acetamide
SMILESCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C42H85NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43(42(3)44)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-41H2,1-3H3
InChIKeyJHQZQMWEDYEZMU-UHFFFAOYSA-N
MW620.15 g/mol
LogP14.92
Rot. Bonds38

About N,N-di(icosyl)acetamide

N,N-di(icosyl)acetamide (PubChem CID 57063838) has the molecular formula C42H85NO and a molecular weight of 620.15 g/mol. Its IUPAC name is N,N-di(icosyl)acetamide.

Molecular Properties

Compound NameN,N-di(icosyl)acetamide
PubChem CID57063838
Molecular FormulaC42H85NO
Molecular Weight620.15 g/mol
Exact Mass619.66
IUPAC NameN,N-di(icosyl)acetamide
SMILESCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C42H85NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43(42(3)44)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-41H2,1-3H3
InChIKeyJHQZQMWEDYEZMU-UHFFFAOYSA-N
XLogP14.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.15
LogP ≤ 514.92
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-heptadecyl-N-tridecylacetamide
CID 172567567
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
N-acetyl-N-decylacetamide
CID 57029087
hexyl(octadecyl)carbamic acid
CID 87702094
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N-heptyl-N-hydroxyacetamide
CID 71399613

Frequently Asked Questions

What is the IUPAC name of N,N-di(icosyl)acetamide?
The IUPAC name of N,N-di(icosyl)acetamide (CID 57063838) is N,N-di(icosyl)acetamide.
What is the SMILES notation for N,N-di(icosyl)acetamide?
The canonical SMILES for N,N-di(icosyl)acetamide is CCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCC)C(C)=O.
What is the InChIKey of N,N-di(icosyl)acetamide?
The InChIKey is JHQZQMWEDYEZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H85NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43(42(3)44)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-41H2,1-3H3.
What are the key properties of N,N-di(icosyl)acetamide?
N,N-di(icosyl)acetamide has a molecular weight of 620.15 g/mol, XLogP of 14.92, 38 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(icosyl)acetamide is sourced from PubChem (CID 57063838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).