N-(2-ethylhexyl)-N-methylprop-2-enamide

C12H23NO — CID 150337538

IUPACN-(2-ethylhexyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(CC)CCCC
InChIInChI=1S/C12H23NO/c1-5-8-9-11(6-2)10-13(4)12(14)7-3/h7,11H,3,5-6,8-10H2,1-2,4H3
InChIKeyGQZPYHASGNJOQM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.85
Rot. Bonds7

About N-(2-ethylhexyl)-N-methylprop-2-enamide

N-(2-ethylhexyl)-N-methylprop-2-enamide (PubChem CID 150337538) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-ethylhexyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-N-methylprop-2-enamide
PubChem CID150337538
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-ethylhexyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(CC)CCCC
InChIInChI=1S/C12H23NO/c1-5-8-9-11(6-2)10-13(4)12(14)7-3/h7,11H,3,5-6,8-10H2,1-2,4H3
InChIKeyGQZPYHASGNJOQM-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(methylamino)hexyl]prop-2-enamide
CID 166807925
2-ethylhexyl 4-[methyl(prop-2-enoyl)amino]butanoate
CID 134486280
N-ethenyl-N-(2-ethylhexyl)carbamoyl chloride
CID 21421924
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
2-ethyl-N-methyl-N-prop-2-enylhexan-1-amine
CID 88673133
[(E)-2-[carboxy(2-ethylhexyl)amino]ethenyl]-(2-ethylhexyl)carbamic acid
CID 21150840
N-[(E)-2-ethyl-5,5-dimethylhex-3-enyl]-N-methylprop-2-enamide
CID 171093206
2-ethyl-N,N-bis(prop-2-enyl)hexan-1-amine
CID 19751114
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-N-methylprop-2-enamide?
The IUPAC name of N-(2-ethylhexyl)-N-methylprop-2-enamide (CID 150337538) is N-(2-ethylhexyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(2-ethylhexyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(2-ethylhexyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)-N-methylprop-2-enamide?
The InChIKey is GQZPYHASGNJOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-8-9-11(6-2)10-13(4)12(14)7-3/h7,11H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of N-(2-ethylhexyl)-N-methylprop-2-enamide?
N-(2-ethylhexyl)-N-methylprop-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-N-methylprop-2-enamide is sourced from PubChem (CID 150337538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).