N-heptyl-2-methylprop-2-enamide

C11H21NO — CID 22247405

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

About N-heptyl-2-methylprop-2-enamide

N-heptyl-2-methylprop-2-enamide (PubChem CID 22247405) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-heptyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-heptyl-2-methylprop-2-enamide
PubChem CID22247405
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-heptyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCCC
InChIInChI=1S/C11H21NO/c1-4-5-6-7-8-9-12-11(13)10(2)3/h2,4-9H2,1,3H3,(H,12,13)
InChIKeyXCYRHAIYAPLAOA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-methylprop-2-enamide?
The IUPAC name of N-heptyl-2-methylprop-2-enamide (CID 22247405) is N-heptyl-2-methylprop-2-enamide.
What is the SMILES notation for N-heptyl-2-methylprop-2-enamide?
The canonical SMILES for N-heptyl-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCCC.
What is the InChIKey of N-heptyl-2-methylprop-2-enamide?
The InChIKey is XCYRHAIYAPLAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-7-8-9-12-11(13)10(2)3/h2,4-9H2,1,3H3,(H,12,13).
What are the key properties of N-heptyl-2-methylprop-2-enamide?
N-heptyl-2-methylprop-2-enamide 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-heptyl-2-methylprop-2-enamide is sourced from PubChem (CID 22247405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).