N,N,3-triethyl-2-methylpent-2-enamide

C12H23NO — CID 102303654

IUPACN,N,3-triethyl-2-methylpent-2-enamide
SMILESCCC(CC)=C(C)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO/c1-6-11(7-2)10(5)12(14)13(8-3)9-4/h6-9H2,1-5H3
InChIKeyMLMLFVSUBCBLMQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds5

About N,N,3-triethyl-2-methylpent-2-enamide

N,N,3-triethyl-2-methylpent-2-enamide (PubChem CID 102303654) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N,3-triethyl-2-methylpent-2-enamide.

Molecular Properties

Compound NameN,N,3-triethyl-2-methylpent-2-enamide
PubChem CID102303654
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N,3-triethyl-2-methylpent-2-enamide
SMILESCCC(CC)=C(C)C(=O)N(CC)CC
InChIInChI=1S/C12H23NO/c1-6-11(7-2)10(5)12(14)13(8-3)9-4/h6-9H2,1-5H3
InChIKeyMLMLFVSUBCBLMQ-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
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,N-diethyl-3-fluoro-2-(trifluoromethyl)-2-heptenamide
CID 129809586
N-diethyl geranylamine
CID 101641847
N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
CID 10518823
(E)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266376
(Z)-N,N-diethyl-3,4,5,5,5-pentafluoro-2-(trifluoromethyl)pent-2-enamide
CID 23266377
1-Acetyl-3-ethyl-4-methyl-1H-pyrrol-2(5H)-one
CID 71391391
4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
CID 146620664
2-Butenamide, N,N-diethyl-2,3-dimethyl-
CID 566252
1,4,5-Trimethyl-2,3-dihydropyridin-6-one
CID 15981614
(E)-N,N-diethyl-4-methylhept-3-enamide
CID 164682655
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130765995
Butanediamide, N,N,N',N'-tetraethyl-2-(1-methylethylidene)-
CID 551898

Frequently Asked Questions

What is the IUPAC name of N,N,3-triethyl-2-methylpent-2-enamide?
The IUPAC name of N,N,3-triethyl-2-methylpent-2-enamide (CID 102303654) is N,N,3-triethyl-2-methylpent-2-enamide.
What is the SMILES notation for N,N,3-triethyl-2-methylpent-2-enamide?
The canonical SMILES for N,N,3-triethyl-2-methylpent-2-enamide is CCC(CC)=C(C)C(=O)N(CC)CC.
What is the InChIKey of N,N,3-triethyl-2-methylpent-2-enamide?
The InChIKey is MLMLFVSUBCBLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-11(7-2)10(5)12(14)13(8-3)9-4/h6-9H2,1-5H3.
What are the key properties of N,N,3-triethyl-2-methylpent-2-enamide?
N,N,3-triethyl-2-methylpent-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethyl-2-methylpent-2-enamide is sourced from PubChem (CID 102303654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).