(E)-N,N-diethyl-4-methylhept-3-enamide

C12H23NO — CID 164682655

IUPAC(E)-N,N-diethyl-4-methylhept-3-enamide
SMILESCCC/C(C)=C/CC(=O)N(CC)CC
InChIInChI=1S/C12H23NO/c1-5-8-11(4)9-10-12(14)13(6-2)7-3/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyNZXJCJLCDSPWTB-PKNBQFBNSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds6

About (E)-N,N-diethyl-4-methylhept-3-enamide

(E)-N,N-diethyl-4-methylhept-3-enamide (PubChem CID 164682655) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N,N-diethyl-4-methylhept-3-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-4-methylhept-3-enamide
PubChem CID164682655
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N,N-diethyl-4-methylhept-3-enamide
SMILESCCC/C(C)=C/CC(=O)N(CC)CC
InChIInChI=1S/C12H23NO/c1-5-8-11(4)9-10-12(14)13(6-2)7-3/h9H,5-8,10H2,1-4H3/b11-9+
InChIKeyNZXJCJLCDSPWTB-PKNBQFBNSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E,7E)-N,N,4,8,12-pentamethyltrideca-3,7,11-trienamide
CID 15762052
(E)-N,N-diethyl-5-methyloct-3-enamide
CID 13183973
l-Geranylazacyclopentan-2-one
CID 24875474
N-diethyl geranylamine
CID 101641847
2-fluoro-N-methyl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
CID 154971019
(3E)-N,N-Diethyl-3-pentenamide
CID 5369259
N-(2,7-dimethyl-2,7-octadienyl)-N-methylacetamide
CID 129803101
N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide
CID 10016351
(E)-N,N-diethyl-2,2-difluorooct-3-enamide
CID 46914625
(3E,5Z)-N,N,5-triethyl-7-fluoro-3-methylocta-3,5,7-trienamide
CID 144144354
(3E,6E)-N,N-diethylocta-3,6-dienamide
CID 10262074
(E)-N,N-di(propan-2-yl)non-3-enamide
CID 10977540

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-4-methylhept-3-enamide?
The IUPAC name of (E)-N,N-diethyl-4-methylhept-3-enamide (CID 164682655) is (E)-N,N-diethyl-4-methylhept-3-enamide.
What is the SMILES notation for (E)-N,N-diethyl-4-methylhept-3-enamide?
The canonical SMILES for (E)-N,N-diethyl-4-methylhept-3-enamide is CCC/C(C)=C/CC(=O)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-4-methylhept-3-enamide?
The InChIKey is NZXJCJLCDSPWTB-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-8-11(4)9-10-12(14)13(6-2)7-3/h9H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of (E)-N,N-diethyl-4-methylhept-3-enamide?
(E)-N,N-diethyl-4-methylhept-3-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-4-methylhept-3-enamide is sourced from PubChem (CID 164682655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).