N-methylheptanamide

C8H17NO — CID 18838

IUPACN-methylheptanamide
SMILESCCCCCCC(=O)NC
InChIInChI=1S/C8H17NO/c1-3-4-5-6-7-8(10)9-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyPRCOHDSOXCGBAX-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.70
Rot. Bonds5

About N-methylheptanamide

N-methylheptanamide (PubChem CID 18838) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methylheptanamide.

Molecular Properties

Compound NameN-methylheptanamide
PubChem CID18838
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methylheptanamide
SMILESCCCCCCC(=O)NC
InChIInChI=1S/C8H17NO/c1-3-4-5-6-7-8(10)9-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyPRCOHDSOXCGBAX-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylheptanamide?
The IUPAC name of N-methylheptanamide (CID 18838) is N-methylheptanamide.
What is the SMILES notation for N-methylheptanamide?
The canonical SMILES for N-methylheptanamide is CCCCCCC(=O)NC.
What is the InChIKey of N-methylheptanamide?
The InChIKey is PRCOHDSOXCGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-7-8(10)9-2/h3-7H2,1-2H3,(H,9,10).
What are the key properties of N-methylheptanamide?
N-methylheptanamide has a molecular weight of 143.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylheptanamide is sourced from PubChem (CID 18838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).