(2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide

C18H23NO2 — CID 142853469

IUPAC(2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(C(=O)NCc1cccc(CC)c1)\C(=C/C)OC
InChIInChI=1S/C18H23NO2/c1-5-9-16(17(7-3)21-4)18(20)19-13-15-11-8-10-14(6-2)12-15/h5,7-12H,1,6,13H2,2-4H3,(H,19,20)/b16-9+,17-7+
InChIKeySINFOUZWUYNFCK-WPGKKOIMSA-N
MW285.39 g/mol
LogP3.53
Rot. Bonds7

About (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide

(2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide (PubChem CID 142853469) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide
PubChem CID142853469
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(C(=O)NCc1cccc(CC)c1)\C(=C/C)OC
InChIInChI=1S/C18H23NO2/c1-5-9-16(17(7-3)21-4)18(20)19-13-15-11-8-10-14(6-2)12-15/h5,7-12H,1,6,13H2,2-4H3,(H,19,20)/b16-9+,17-7+
InChIKeySINFOUZWUYNFCK-WPGKKOIMSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 70298508
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N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
N-[(3-ethylphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 174196538
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
(Z)-N-[(3-bromophenyl)methyl]-2-methylpent-2-enamide
CID 60553199
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide (CID 142853469) is (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide is C=C/C=C(C(=O)NCc1cccc(CC)c1)\C(=C/C)OC.
What is the InChIKey of (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide?
The InChIKey is SINFOUZWUYNFCK-WPGKKOIMSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-9-16(17(7-3)21-4)18(20)19-13-15-11-8-10-14(6-2)12-15/h5,7-12H,1,6,13H2,2-4H3,(H,19,20)/b16-9+,17-7+.
What are the key properties of (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide?
(2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide has a molecular weight of 285.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(3-ethylphenyl)methyl]-2-[(E)-1-methoxyprop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 142853469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).