3-ethoxy-N-methyl-N-prop-2-enylbenzamide

C13H17NO2 — CID 123374812

IUPAC3-ethoxy-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(OCC)c1
InChIInChI=1S/C13H17NO2/c1-4-9-14(3)13(15)11-7-6-8-12(10-11)16-5-2/h4,6-8,10H,1,5,9H2,2-3H3
InChIKeyNZTAQALKRRYJQZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.34
Rot. Bonds5

About 3-ethoxy-N-methyl-N-prop-2-enylbenzamide

3-ethoxy-N-methyl-N-prop-2-enylbenzamide (PubChem CID 123374812) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-methyl-N-prop-2-enylbenzamide
PubChem CID123374812
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-ethoxy-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(OCC)c1
InChIInChI=1S/C13H17NO2/c1-4-9-14(3)13(15)11-7-6-8-12(10-11)16-5-2/h4,6-8,10H,1,5,9H2,2-3H3
InChIKeyNZTAQALKRRYJQZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
3-ethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4957698
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
1-buta-1,3-dien-2-yl-3-ethoxybenzene
CID 123164385
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
methyl 3-ethoxybenzoate
CID 3267781
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-ethoxy-N-methyl-N-prop-2-enylbenzamide (CID 123374812) is 3-ethoxy-N-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-ethoxy-N-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-ethoxy-N-methyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1cccc(OCC)c1.
What is the InChIKey of 3-ethoxy-N-methyl-N-prop-2-enylbenzamide?
The InChIKey is NZTAQALKRRYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-9-14(3)13(15)11-7-6-8-12(10-11)16-5-2/h4,6-8,10H,1,5,9H2,2-3H3.
What are the key properties of 3-ethoxy-N-methyl-N-prop-2-enylbenzamide?
3-ethoxy-N-methyl-N-prop-2-enylbenzamide has a molecular weight of 219.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 123374812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).