(E)-6-ethoxy-N-ethylhept-5-enamide

C11H21NO2 — CID 142914571

IUPAC(E)-6-ethoxy-N-ethylhept-5-enamide
SMILESCCNC(=O)CCC/C=C(\C)OCC
InChIInChI=1S/C11H21NO2/c1-4-12-11(13)9-7-6-8-10(3)14-5-2/h8H,4-7,9H2,1-3H3,(H,12,13)/b10-8+
InChIKeyZQKDVZFVQRWEDD-CSKARUKUSA-N
MW199.29 g/mol
LogP2.23
Rot. Bonds7

About (E)-6-ethoxy-N-ethylhept-5-enamide

(E)-6-ethoxy-N-ethylhept-5-enamide (PubChem CID 142914571) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-6-ethoxy-N-ethylhept-5-enamide.

Molecular Properties

Compound Name(E)-6-ethoxy-N-ethylhept-5-enamide
PubChem CID142914571
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-6-ethoxy-N-ethylhept-5-enamide
SMILESCCNC(=O)CCC/C=C(\C)OCC
InChIInChI=1S/C11H21NO2/c1-4-12-11(13)9-7-6-8-10(3)14-5-2/h8H,4-7,9H2,1-3H3,(H,12,13)/b10-8+
InChIKeyZQKDVZFVQRWEDD-CSKARUKUSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-oxopentanamide
CID 54062498
N,N'-diethylnonanediamide
CID 89048639
N'-ethylnonanediamide
CID 18377762
N'-ethyldodecanediamide
CID 175230920
(E)-7-methoxyoct-6-en-2-one
CID 15877252
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
5-acetamido-N-ethylpentanamide
CID 145189248
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
tert-butyl 5-(ethylamino)-5-oxopentanoate
CID 145414661
(E)-8-(ethylamino)-6-methanimidoyl-8-oxooct-5-enoic acid
CID 163932600

Frequently Asked Questions

What is the IUPAC name of (E)-6-ethoxy-N-ethylhept-5-enamide?
The IUPAC name of (E)-6-ethoxy-N-ethylhept-5-enamide (CID 142914571) is (E)-6-ethoxy-N-ethylhept-5-enamide.
What is the SMILES notation for (E)-6-ethoxy-N-ethylhept-5-enamide?
The canonical SMILES for (E)-6-ethoxy-N-ethylhept-5-enamide is CCNC(=O)CCC/C=C(\C)OCC.
What is the InChIKey of (E)-6-ethoxy-N-ethylhept-5-enamide?
The InChIKey is ZQKDVZFVQRWEDD-CSKARUKUSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12-11(13)9-7-6-8-10(3)14-5-2/h8H,4-7,9H2,1-3H3,(H,12,13)/b10-8+.
What are the key properties of (E)-6-ethoxy-N-ethylhept-5-enamide?
(E)-6-ethoxy-N-ethylhept-5-enamide has a molecular weight of 199.29 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-ethoxy-N-ethylhept-5-enamide is sourced from PubChem (CID 142914571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).