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

C19H29NO — CID 90266134

IUPAC(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
SMILESC/C=C/CCCCC(CC)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H29NO/c1-4-6-7-8-9-10-18(5-2)19(21)20-15-17-13-11-16(3)12-14-17/h4,6,11-14,18H,5,7-10,15H2,1-3H3,(H,20,21)/b6-4+
InChIKeyNWAYNAXEZBWRSF-GQCTYLIASA-N
MW287.45 g/mol
LogP4.77
Rot. Bonds9

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

(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide (PubChem CID 90266134) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
PubChem CID90266134
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
SMILESC/C=C/CCCCC(CC)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H29NO/c1-4-6-7-8-9-10-18(5-2)19(21)20-15-17-13-11-16(3)12-14-17/h4,6,11-14,18H,5,7-10,15H2,1-3H3,(H,20,21)/b6-4+
InChIKeyNWAYNAXEZBWRSF-GQCTYLIASA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methoxyphenyl)methyl]non-7-enamide
CID 90266203
2-ethyl-N-(4-phenylphenyl)non-7-enamide
CID 150409330
N-[[4-(chloromethyl)phenyl]methyl]-2-ethylhexanamide
CID 107233438
N-(2-bromophenyl)-2-ethylnon-7-enamide
CID 140646551
2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide
CID 150634098
2-ethyl-N-(2-propylphenyl)non-7-enamide
CID 140646559
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-[(3,4-dichlorophenyl)methyl]-2-ethylnonanamide
CID 150273254
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]butanamide
CID 835678

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide?
The IUPAC name of (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide (CID 90266134) is (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide.
What is the SMILES notation for (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide?
The canonical SMILES for (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide is C/C=C/CCCCC(CC)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide?
The InChIKey is NWAYNAXEZBWRSF-GQCTYLIASA-N. The full InChI is InChI=1S/C19H29NO/c1-4-6-7-8-9-10-18(5-2)19(21)20-15-17-13-11-16(3)12-14-17/h4,6,11-14,18H,5,7-10,15H2,1-3H3,(H,20,21)/b6-4+.
What are the key properties of (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide?
(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide has a molecular weight of 287.45 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide is sourced from PubChem (CID 90266134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).