acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide

C19H24N2O5 — CID 91231286

IUPACacetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)O.CCOc1ccc(OCC)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H20N2O3.C2H4O2/c1-3-21-14-8-9-16(22-4-2)15(11-14)17(20)19-12-13-7-5-6-10-18-13;1-2(3)4/h5-11H,3-4,12H2,1-2H3,(H,19,20);1H3,(H,3,4)
InChIKeyAVMVSKVMYLTEIS-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.90
Rot. Bonds7

About acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide

acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 91231286) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Nameacetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID91231286
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nameacetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCC(=O)O.CCOc1ccc(OCC)c(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H20N2O3.C2H4O2/c1-3-21-14-8-9-16(22-4-2)15(11-14)17(20)19-12-13-7-5-6-10-18-13;1-2(3)4/h5-11H,3-4,12H2,1-2H3,(H,19,20);1H3,(H,3,4)
InChIKeyAVMVSKVMYLTEIS-UHFFFAOYSA-N
XLogP2.90
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 26549903
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
(E)-3-(3,4-diethoxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 30878649
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide (CID 91231286) is acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide is CC(=O)O.CCOc1ccc(OCC)c(C(=O)NCc2ccccn2)c1.
What is the InChIKey of acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is AVMVSKVMYLTEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.C2H4O2/c1-3-21-14-8-9-16(22-4-2)15(11-14)17(20)19-12-13-7-5-6-10-18-13;1-2(3)4/h5-11H,3-4,12H2,1-2H3,(H,19,20);1H3,(H,3,4).
What are the key properties of acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide?
acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 360.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 91231286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).