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

C14H19NO2 — CID 115628304

IUPAC3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-4-5-6-9-15-14(16)12-8-7-11(2)13(10-12)17-3/h4-5,7-8,10H,6,9H2,1-3H3,(H,15,16)/b5-4+
InChIKeyJWLZKGMKNVZKCY-SNAWJCMRSA-N
MW233.31 g/mol
LogP2.70
Rot. Bonds5

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

3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide (PubChem CID 115628304) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
PubChem CID115628304
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H19NO2/c1-4-5-6-9-15-14(16)12-8-7-11(2)13(10-12)17-3/h4-5,7-8,10H,6,9H2,1-3H3,(H,15,16)/b5-4+
InChIKeyJWLZKGMKNVZKCY-SNAWJCMRSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.70
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

3-methoxy-4-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628088
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 113236443
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide (CID 115628304) is 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide is C/C=C/CCNC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide?
The InChIKey is JWLZKGMKNVZKCY-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-5-6-9-15-14(16)12-8-7-11(2)13(10-12)17-3/h4-5,7-8,10H,6,9H2,1-3H3,(H,15,16)/b5-4+.
What are the key properties of 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide?
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide is sourced from PubChem (CID 115628304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).