N-methyl-N-prop-2-enoyloctanamide

C12H21NO2 — CID 19419945

IUPACN-methyl-N-prop-2-enoyloctanamide
SMILESC=CC(=O)N(C)C(=O)CCCCCCC
InChIInChI=1S/C12H21NO2/c1-4-6-7-8-9-10-12(15)13(3)11(14)5-2/h5H,2,4,6-10H2,1,3H3
InChIKeyLAYUDTQMSFIBFY-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.52
Rot. Bonds7

About N-methyl-N-prop-2-enoyloctanamide

N-methyl-N-prop-2-enoyloctanamide (PubChem CID 19419945) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-methyl-N-prop-2-enoyloctanamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enoyloctanamide
PubChem CID19419945
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-methyl-N-prop-2-enoyloctanamide
SMILESC=CC(=O)N(C)C(=O)CCCCCCC
InChIInChI=1S/C12H21NO2/c1-4-6-7-8-9-10-12(15)13(3)11(14)5-2/h5H,2,4,6-10H2,1,3H3
InChIKeyLAYUDTQMSFIBFY-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
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-methyl-N-prop-2-enoyloctanamide?
The IUPAC name of N-methyl-N-prop-2-enoyloctanamide (CID 19419945) is N-methyl-N-prop-2-enoyloctanamide.
What is the SMILES notation for N-methyl-N-prop-2-enoyloctanamide?
The canonical SMILES for N-methyl-N-prop-2-enoyloctanamide is C=CC(=O)N(C)C(=O)CCCCCCC.
What is the InChIKey of N-methyl-N-prop-2-enoyloctanamide?
The InChIKey is LAYUDTQMSFIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-6-7-8-9-10-12(15)13(3)11(14)5-2/h5H,2,4,6-10H2,1,3H3.
What are the key properties of N-methyl-N-prop-2-enoyloctanamide?
N-methyl-N-prop-2-enoyloctanamide has a molecular weight of 211.30 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enoyloctanamide is sourced from PubChem (CID 19419945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).