3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide

C14H18N2O4 — CID 35018344

IUPAC3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
SMILESC=CCNC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18N2O4/c1-4-7-15-13(17)9-16-14(18)10-5-6-11(19-2)12(8-10)20-3/h4-6,8H,1,7,9H2,2-3H3,(H,15,17)(H,16,18)
InChIKeyUDMILWQLKSYBFN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds7

About 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide

3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide (PubChem CID 35018344) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
PubChem CID35018344
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
SMILESC=CCNC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H18N2O4/c1-4-7-15-13(17)9-16-14(18)10-5-6-11(19-2)12(8-10)20-3/h4-6,8H,1,7,9H2,2-3H3,(H,15,17)(H,16,18)
InChIKeyUDMILWQLKSYBFN-UHFFFAOYSA-N
XLogP0.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 18822898
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
N-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 35153993
3-bromo-4-(2-methoxyethoxy)-N-prop-2-enylbenzamide
CID 15943188
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136732655

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide (CID 35018344) is 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide is C=CCNC(=O)CNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The InChIKey is UDMILWQLKSYBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-7-15-13(17)9-16-14(18)10-5-6-11(19-2)12(8-10)20-3/h4-6,8H,1,7,9H2,2-3H3,(H,15,17)(H,16,18).
What are the key properties of 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide is sourced from PubChem (CID 35018344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).