3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide

C15H19NO3 — CID 17456116

IUPAC3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(/C=C/C)c(OC)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-5-7-11-9-12(15(17)16-8-6-2)10-13(18-3)14(11)19-4/h5-7,9-10H,2,8H2,1,3-4H3,(H,16,17)/b7-5+
InChIKeyZUTZHXYSTZSEKR-FNORWQNLSA-N
MW261.32 g/mol
LogP2.65
Rot. Bonds6

About 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide

3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide (PubChem CID 17456116) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide
PubChem CID17456116
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(/C=C/C)c(OC)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-5-7-11-9-12(15(17)16-8-6-2)10-13(18-3)14(11)19-4/h5-7,9-10H,2,8H2,1,3-4H3,(H,16,17)/b7-5+
InChIKeyZUTZHXYSTZSEKR-FNORWQNLSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 18105718
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
[2-oxo-2-(prop-2-enylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572044
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(Z)-prop-1-enyl]benzamide
CID 97432010
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24529374
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
N-ethenyl-3,4,5-trimethoxybenzamide
CID 102575963
ethyl 4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 16573483
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 18161468
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide (CID 17456116) is 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(/C=C/C)c(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide?
The InChIKey is ZUTZHXYSTZSEKR-FNORWQNLSA-N. The full InChI is InChI=1S/C15H19NO3/c1-5-7-11-9-12(15(17)16-8-6-2)10-13(18-3)14(11)19-4/h5-7,9-10H,2,8H2,1,3-4H3,(H,16,17)/b7-5+.
What are the key properties of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide?
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 17456116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).