(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide

C19H29NO2 — CID 90266203

IUPAC(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide
SMILESC/C=C/CCCCC(CC)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H29NO2/c1-4-6-7-8-9-10-17(5-2)19(21)20-15-16-11-13-18(22-3)14-12-16/h4,6,11-14,17H,5,7-10,15H2,1-3H3,(H,20,21)/b6-4+
InChIKeyWJXFCEWCPZTKNS-GQCTYLIASA-N
MW303.45 g/mol
LogP4.47
Rot. Bonds10

About (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide

(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide (PubChem CID 90266203) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide
PubChem CID90266203
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide
SMILESC/C=C/CCCCC(CC)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H29NO2/c1-4-6-7-8-9-10-17(5-2)19(21)20-15-16-11-13-18(22-3)14-12-16/h4,6,11-14,17H,5,7-10,15H2,1-3H3,(H,20,21)/b6-4+
InChIKeyWJXFCEWCPZTKNS-GQCTYLIASA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.47
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'}

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Related Compounds

(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
CID 90266134
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
N-[[4-(chloromethyl)phenyl]methyl]-2-ethylhexanamide
CID 107233438
4-[4-[(2-ethylbutanoylamino)methyl]phenoxy]butanoic acid
CID 119247314
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-(2-bromophenyl)-2-ethylnon-7-enamide
CID 140646551
(Z)-1-(4-methoxyphenyl)non-7-en-3-one
CID 102031685
(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 142496432
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide?
The IUPAC name of (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide (CID 90266203) is (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide.
What is the SMILES notation for (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide?
The canonical SMILES for (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide is C/C=C/CCCCC(CC)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide?
The InChIKey is WJXFCEWCPZTKNS-GQCTYLIASA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-6-7-8-9-10-17(5-2)19(21)20-15-16-11-13-18(22-3)14-12-16/h4,6,11-14,17H,5,7-10,15H2,1-3H3,(H,20,21)/b6-4+.
What are the key properties of (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide?
(E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide has a molecular weight of 303.45 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-[(4-methoxyphenyl)methyl]non-7-enamide is sourced from PubChem (CID 90266203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).