4-methoxy-N-[(E)-pent-3-enyl]benzamide

C13H17NO2 — CID 115628167

IUPAC4-methoxy-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-3-4-5-10-14-13(15)11-6-8-12(16-2)9-7-11/h3-4,6-9H,5,10H2,1-2H3,(H,14,15)/b4-3+
InChIKeyAPUSWFUILJVXRY-ONEGZZNKSA-N
MW219.28 g/mol
LogP2.39
Rot. Bonds5

About 4-methoxy-N-[(E)-pent-3-enyl]benzamide

4-methoxy-N-[(E)-pent-3-enyl]benzamide (PubChem CID 115628167) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-pent-3-enyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-pent-3-enyl]benzamide
PubChem CID115628167
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methoxy-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-3-4-5-10-14-13(15)11-6-8-12(16-2)9-7-11/h3-4,6-9H,5,10H2,1-2H3,(H,14,15)/b4-3+
InChIKeyAPUSWFUILJVXRY-ONEGZZNKSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.39
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

N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
CID 178010444
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-methoxy-N-pentylbenzamide
CID 3113360
3-methoxy-4-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628088

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-pent-3-enyl]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-pent-3-enyl]benzamide (CID 115628167) is 4-methoxy-N-[(E)-pent-3-enyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-pent-3-enyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-pent-3-enyl]benzamide is C/C=C/CCNC(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-pent-3-enyl]benzamide?
The InChIKey is APUSWFUILJVXRY-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-4-5-10-14-13(15)11-6-8-12(16-2)9-7-11/h3-4,6-9H,5,10H2,1-2H3,(H,14,15)/b4-3+.
What are the key properties of 4-methoxy-N-[(E)-pent-3-enyl]benzamide?
4-methoxy-N-[(E)-pent-3-enyl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-pent-3-enyl]benzamide is sourced from PubChem (CID 115628167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).