N-hexanimidoylacetamide

C8H16N2O — CID 162117691

IUPACN-hexanimidoylacetamide
SMILES[H]/N=C(\CCCCC)NC(C)=O
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-8(9)10-7(2)11/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyZGZJBCKPGVUALZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.68
Rot. Bonds4

About N-hexanimidoylacetamide

N-hexanimidoylacetamide (PubChem CID 162117691) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-hexanimidoylacetamide.

Molecular Properties

Compound NameN-hexanimidoylacetamide
PubChem CID162117691
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-hexanimidoylacetamide
SMILES[H]/N=C(\CCCCC)NC(C)=O
InChIInChI=1S/C8H16N2O/c1-3-4-5-6-8(9)10-7(2)11/h3-6H2,1-2H3,(H2,9,10,11)
InChIKeyZGZJBCKPGVUALZ-UHFFFAOYSA-N
XLogP1.68
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(C,N-dibutylcarbonimidoyl)acetamide
CID 87419306
N-(C-heptyl-N-methylcarbonimidoyl)acetamide
CID 89098173
2-methyl-N-(4-methylpentanimidoyl)propanamide
CID 140915600
N-butanimidoylacetamide
CID 145288423
N-heptanimidoylacetamide
CID 147564357
N-(2-methylpropanimidoyl)hexanamide
CID 148065266
2-methyl-N-(2-methylpropanimidoyl)propanamide
CID 154038986
N-(C-butyl-N-ethylcarbonimidoyl)propanamide
CID 163472578
N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide
CID 163557893
N-ethanimidoylhexanamide
CID 164004390
N,N'-di(ethanimidoyl)hexanediamide
CID 173088304
N-butanimidoylbutanamide
CID 173088619

Frequently Asked Questions

What is the IUPAC name of N-hexanimidoylacetamide?
The IUPAC name of N-hexanimidoylacetamide (CID 162117691) is N-hexanimidoylacetamide.
What is the SMILES notation for N-hexanimidoylacetamide?
The canonical SMILES for N-hexanimidoylacetamide is [H]/N=C(\CCCCC)NC(C)=O.
What is the InChIKey of N-hexanimidoylacetamide?
The InChIKey is ZGZJBCKPGVUALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-5-6-8(9)10-7(2)11/h3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of N-hexanimidoylacetamide?
N-hexanimidoylacetamide has a molecular weight of 156.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexanimidoylacetamide is sourced from PubChem (CID 162117691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).