(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one

C25H41NO2 — CID 142233092

IUPAC(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one
SMILESC/C=C\CCCC(=O)NCC.CCC(CC)CCC(=O)CCc1ccccc1
InChIInChI=1S/C16H24O.C9H17NO/c1-3-14(4-2)10-12-16(17)13-11-15-8-6-5-7-9-15;1-3-5-6-7-8-9(11)10-4-2/h5-9,14H,3-4,10-13H2,1-2H3;3,5H,4,6-8H2,1-2H3,(H,10,11)/b;5-3-
InChIKeyOHCTZTQZGQYIRW-PJAIOPLOSA-N
MW387.61 g/mol
LogP6.27
Rot. Bonds13

About (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one

(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one (PubChem CID 142233092) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one.

Molecular Properties

Compound Name(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one
PubChem CID142233092
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one
SMILESC/C=C\CCCC(=O)NCC.CCC(CC)CCC(=O)CCc1ccccc1
InChIInChI=1S/C16H24O.C9H17NO/c1-3-14(4-2)10-12-16(17)13-11-15-8-6-5-7-9-15;1-3-5-6-7-8-9(11)10-4-2/h5-9,14H,3-4,10-13H2,1-2H3;3,5H,4,6-8H2,1-2H3,(H,10,11)/b;5-3-
InChIKeyOHCTZTQZGQYIRW-PJAIOPLOSA-N
XLogP6.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-pent-3-enyl]-3-phenylpropanamide
CID 101244691
N-ethyl-6-phenylhexanamide
CID 70953257
(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
CID 144501828
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802
[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)
CID 145386549
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 123932006
(Z)-N-ethyl-7-[(1S,5R)-5-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 45137094
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
N-ethyl-7-[5-(3-hydroxy-5-phenylpentylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enamide
CID 123951180
4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
(10E,12E)-N-benzyl-5-oxotetradeca-10,12-dienamide
CID 102423715
[(E)-1-cyclopentyl-5-phenylpent-1-en-3-yl] 6-nitrooxyhexanoate;(Z)-N-ethylhept-5-enamide
CID 164855443

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one?
The IUPAC name of (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one (CID 142233092) is (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one.
What is the SMILES notation for (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one?
The canonical SMILES for (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one is C/C=C\CCCC(=O)NCC.CCC(CC)CCC(=O)CCc1ccccc1.
What is the InChIKey of (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one?
The InChIKey is OHCTZTQZGQYIRW-PJAIOPLOSA-N. The full InChI is InChI=1S/C16H24O.C9H17NO/c1-3-14(4-2)10-12-16(17)13-11-15-8-6-5-7-9-15;1-3-5-6-7-8-9(11)10-4-2/h5-9,14H,3-4,10-13H2,1-2H3;3,5H,4,6-8H2,1-2H3,(H,10,11)/b;5-3-.
What are the key properties of (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one?
(Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one has a molecular weight of 387.61 g/mol, XLogP of 6.27, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylhept-5-enamide;6-ethyl-1-phenyloctan-3-one is sourced from PubChem (CID 142233092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).