N-heptylacetamide

HCID 347488CAS 14202-55-2

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCNC(C)=O
InChIKey: OHADWZGOXBOKDQ-UHFFFAOYSA-N
Molecular formula: C9H19NO
Average molar mass: 157.25 g/mol
Monoisotopic mass: 157.14666423

Names & identifiers

Preferred name: N-heptylacetamide
IUPAC: N-heptylacetamide

Names & synonyms

N-heptylacetamide14202-55-2Acetamide, N-heptyl-NSC406194N-Acetyl-n-heptylaminSCHEMBL1003218SCHEMBL6163193SCHEMBL11649951DTXSID10324269AKOS003871586NSC-406194

Database identifiers

CAS: 14202-55-2
PubChem CID: 347488
DTXSID: DTXSID10324269

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 102

Related reactions

7 records

New reaction record

HRID 36144As productuspto-grants-1995_05

HRID 36145As reactantuspto-grants-1995_05

HRID 134214As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 320434As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 439757As productuspto-grants-1996_05

HRID 439758As reactantuspto-grants-1996_05

HRID 1537672As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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