N-heptanimidoylacetamide

C9H18N2O — CID 147564357

IUPACN-heptanimidoylacetamide
SMILES[H]/N=C(\CCCCCC)NC(C)=O
InChIInChI=1S/C9H18N2O/c1-3-4-5-6-7-9(10)11-8(2)12/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyFTGPSQSSCHMUSJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.07
Rot. Bonds5

About N-heptanimidoylacetamide

N-heptanimidoylacetamide (PubChem CID 147564357) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-heptanimidoylacetamide.

Molecular Properties

Compound NameN-heptanimidoylacetamide
PubChem CID147564357
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-heptanimidoylacetamide
SMILES[H]/N=C(\CCCCCC)NC(C)=O
InChIInChI=1S/C9H18N2O/c1-3-4-5-6-7-9(10)11-8(2)12/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyFTGPSQSSCHMUSJ-UHFFFAOYSA-N
XLogP2.07
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.07
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-ethanimidoyloctanamide
CID 142602215
N-butanimidoylacetamide
CID 145288423
N-(2-methylpropanimidoyl)hexanamide
CID 148065266
N-hexanimidoylacetamide
CID 162117691
N-(2,3,4,5,6,7-hexahydroazocin-8-yl)acetamide
CID 163557893
N-ethanimidoylhexanamide
CID 164004390
N-butanimidoylbutanamide
CID 173088619

Frequently Asked Questions

What is the IUPAC name of N-heptanimidoylacetamide?
The IUPAC name of N-heptanimidoylacetamide (CID 147564357) is N-heptanimidoylacetamide.
What is the SMILES notation for N-heptanimidoylacetamide?
The canonical SMILES for N-heptanimidoylacetamide is [H]/N=C(\CCCCCC)NC(C)=O.
What is the InChIKey of N-heptanimidoylacetamide?
The InChIKey is FTGPSQSSCHMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-6-7-9(10)11-8(2)12/h3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of N-heptanimidoylacetamide?
N-heptanimidoylacetamide has a molecular weight of 170.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptanimidoylacetamide is sourced from PubChem (CID 147564357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).