N-(2-methylprop-2-enyl)heptanamide

C11H21NO — CID 114618989

IUPACN-(2-methylprop-2-enyl)heptanamide
SMILESC=C(C)CNC(=O)CCCCCC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-11(13)12-9-10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyXVQWLQZAPSERPU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.65
Rot. Bonds7

About N-(2-methylprop-2-enyl)heptanamide

N-(2-methylprop-2-enyl)heptanamide (PubChem CID 114618989) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)heptanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)heptanamide
PubChem CID114618989
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2-methylprop-2-enyl)heptanamide
SMILESC=C(C)CNC(=O)CCCCCC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-11(13)12-9-10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyXVQWLQZAPSERPU-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)heptanamide?
The IUPAC name of N-(2-methylprop-2-enyl)heptanamide (CID 114618989) is N-(2-methylprop-2-enyl)heptanamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)heptanamide?
The canonical SMILES for N-(2-methylprop-2-enyl)heptanamide is C=C(C)CNC(=O)CCCCCC.
What is the InChIKey of N-(2-methylprop-2-enyl)heptanamide?
The InChIKey is XVQWLQZAPSERPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-8-11(13)12-9-10(2)3/h2,4-9H2,1,3H3,(H,12,13).
What are the key properties of N-(2-methylprop-2-enyl)heptanamide?
N-(2-methylprop-2-enyl)heptanamide has a molecular weight of 183.29 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)heptanamide is sourced from PubChem (CID 114618989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).