3-ethyl-N,N-dimethylhept-2-enamide

C11H21NO — CID 71421638

IUPAC3-ethyl-N,N-dimethylhept-2-enamide
SMILESCCCCC(=CC(=O)N(C)C)CC
InChIInChI=1S/C11H21NO/c1-5-7-8-10(6-2)9-11(13)12(3)4/h9H,5-8H2,1-4H3
InChIKeyMXHWOIXWZSHHMO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds5

About 3-ethyl-N,N-dimethylhept-2-enamide

3-ethyl-N,N-dimethylhept-2-enamide (PubChem CID 71421638) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethylhept-2-enamide.

Molecular Properties

Compound Name3-ethyl-N,N-dimethylhept-2-enamide
PubChem CID71421638
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-ethyl-N,N-dimethylhept-2-enamide
SMILESCCCCC(=CC(=O)N(C)C)CC
InChIInChI=1S/C11H21NO/c1-5-7-8-10(6-2)9-11(13)12(3)4/h9H,5-8H2,1-4H3
InChIKeyMXHWOIXWZSHHMO-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
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

3-ethylnon-3-en-5-one
CID 14567344
(E)-3-ethylundec-2-enoic acid
CID 19989078
methyl 19-[2-(dimethylamino)-2-oxoethylidene]octacos-9-enoate
CID 123979527
3-ethylhept-2-enal
CID 3746606
(Z)-4-ethyl-2-methylideneoct-3-en-1-ol
CID 10975891
(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
CID 162574267
(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
CID 87744529
3-pentyloct-2-enoic acid
CID 89457435
6,10-diethyl-2,14-dimethylpentadeca-6,9-dien-8-one
CID 139998284
N,N-dimethylpentadec-2-enamide
CID 123899063
(E)-N,N-dimethyl-3-tributylstannylprop-2-enamide
CID 19785799
sodium (E)-2-ethylhex-1-ene-1-sulfonate
CID 23665573

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethylhept-2-enamide?
The IUPAC name of 3-ethyl-N,N-dimethylhept-2-enamide (CID 71421638) is 3-ethyl-N,N-dimethylhept-2-enamide.
What is the SMILES notation for 3-ethyl-N,N-dimethylhept-2-enamide?
The canonical SMILES for 3-ethyl-N,N-dimethylhept-2-enamide is CCCCC(=CC(=O)N(C)C)CC.
What is the InChIKey of 3-ethyl-N,N-dimethylhept-2-enamide?
The InChIKey is MXHWOIXWZSHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-8-10(6-2)9-11(13)12(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-N,N-dimethylhept-2-enamide?
3-ethyl-N,N-dimethylhept-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethylhept-2-enamide is sourced from PubChem (CID 71421638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).