N-(2-methylprop-2-enoyl)hexanamide

C10H17NO2 — CID 22568306

IUPACN-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)NC(=O)CCCCC
InChIInChI=1S/C10H17NO2/c1-4-5-6-7-9(12)11-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,12,13)
InChIKeyJHADLQNKKGJHBS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.79
Rot. Bonds5

About N-(2-methylprop-2-enoyl)hexanamide

N-(2-methylprop-2-enoyl)hexanamide (PubChem CID 22568306) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)hexanamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)hexanamide
PubChem CID22568306
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(2-methylprop-2-enoyl)hexanamide
SMILESC=C(C)C(=O)NC(=O)CCCCC
InChIInChI=1S/C10H17NO2/c1-4-5-6-7-9(12)11-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,12,13)
InChIKeyJHADLQNKKGJHBS-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylprop-2-enoyl)hexanamide?
The IUPAC name of N-(2-methylprop-2-enoyl)hexanamide (CID 22568306) is N-(2-methylprop-2-enoyl)hexanamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)hexanamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)hexanamide is C=C(C)C(=O)NC(=O)CCCCC.
What is the InChIKey of N-(2-methylprop-2-enoyl)hexanamide?
The InChIKey is JHADLQNKKGJHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-6-7-9(12)11-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,12,13).
What are the key properties of N-(2-methylprop-2-enoyl)hexanamide?
N-(2-methylprop-2-enoyl)hexanamide has a molecular weight of 183.25 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)hexanamide is sourced from PubChem (CID 22568306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).