N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide

C18H32N2O2 — CID 145125978

IUPACN,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
SMILESC=C/C(=C\C=C/C)C(=O)N(CC)CC.CCN(CC)C(C)=O
InChIInChI=1S/C12H19NO.C6H13NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4;1-4-7(5-2)6(3)8/h5-6,9-10H,2,7-8H2,1,3-4H3;4-5H2,1-3H3/b9-5-,11-10+;
InChIKeyDEEXLYWMKIEMAM-PKVWVGCKSA-N
MW308.47 g/mol
LogP3.42
Rot. Bonds7

About N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide

N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide (PubChem CID 145125978) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide.

Molecular Properties

Compound NameN,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
PubChem CID145125978
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
SMILESC=C/C(=C\C=C/C)C(=O)N(CC)CC.CCN(CC)C(C)=O
InChIInChI=1S/C12H19NO.C6H13NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4;1-4-7(5-2)6(3)8/h5-6,9-10H,2,7-8H2,1,3-4H3;4-5H2,1-3H3/b9-5-,11-10+;
InChIKeyDEEXLYWMKIEMAM-PKVWVGCKSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-N,N-diethylpenta-2,4-dienamide
CID 91586528
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
acetic acid;N,N-diethylacetamide
CID 174447974
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(3E,5Z)-3-ethenyl-1,1-difluorohepta-3,5-dien-2-one
CID 145079056
N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
CID 178168015
N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
CID 155717476
N,N-diethyl-2,3-dimethylbut-2-enamide
CID 566252
(4E,6Z)-4-ethenyl-N-(2-methylprop-1-enyl)octa-4,6-dien-3-imine
CID 143684728
3-[(2E)-2-ethenylpenta-2,4-dienoyl]oxypropyl (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 145346902
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(2E)-2-ethenyl-N,N,5-trimethylhexa-2,4-dienamide
CID 143537034

Frequently Asked Questions

What is the IUPAC name of N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide?
The IUPAC name of N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide (CID 145125978) is N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide.
What is the SMILES notation for N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide?
The canonical SMILES for N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide is C=C/C(=C\C=C/C)C(=O)N(CC)CC.CCN(CC)C(C)=O.
What is the InChIKey of N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide?
The InChIKey is DEEXLYWMKIEMAM-PKVWVGCKSA-N. The full InChI is InChI=1S/C12H19NO.C6H13NO/c1-5-9-10-11(6-2)12(14)13(7-3)8-4;1-4-7(5-2)6(3)8/h5-6,9-10H,2,7-8H2,1,3-4H3;4-5H2,1-3H3/b9-5-,11-10+;.
What are the key properties of N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide?
N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide has a molecular weight of 308.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide is sourced from PubChem (CID 145125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).