3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide

C13H15NO3 — CID 18109976

IUPAC3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C13H15NO3/c1-4-8-14-13(15)10-6-7-11(16-3)12(9-10)17-5-2/h1,6-7,9H,5,8H2,2-3H3,(H,14,15)
InChIKeyWSBLUKIYZXCSSE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.46
Rot. Bonds5

About 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide

3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide (PubChem CID 18109976) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
PubChem CID18109976
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(OC)c(OCC)c1
InChIInChI=1S/C13H15NO3/c1-4-8-14-13(15)10-6-7-11(16-3)12(9-10)17-5-2/h1,6-7,9H,5,8H2,2-3H3,(H,14,15)
InChIKeyWSBLUKIYZXCSSE-UHFFFAOYSA-N
XLogP1.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 122188015
N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
CID 103770448
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide (CID 18109976) is 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(OC)c(OCC)c1.
What is the InChIKey of 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide?
The InChIKey is WSBLUKIYZXCSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-8-14-13(15)10-6-7-11(16-3)12(9-10)17-5-2/h1,6-7,9H,5,8H2,2-3H3,(H,14,15).
What are the key properties of 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide?
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 18109976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).