3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

C17H20N2O2 — CID 6466465

IUPAC3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1cccc(C(=O)N(CC)Cc2ccncc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(13-14-8-10-18-11-9-14)17(20)15-6-5-7-16(12-15)21-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyKXYOTCRVNFUEFX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.14
Rot. Bonds6

About 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 6466465) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID6466465
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCOc1cccc(C(=O)N(CC)Cc2ccncc2)c1
InChIInChI=1S/C17H20N2O2/c1-3-19(13-14-8-10-18-11-9-14)17(20)15-6-5-7-16(12-15)21-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyKXYOTCRVNFUEFX-UHFFFAOYSA-N
XLogP3.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
2-(3-aminophenoxy)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 61115292
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
CID 87025092
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (CID 6466465) is 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is CCOc1cccc(C(=O)N(CC)Cc2ccncc2)c1.
What is the InChIKey of 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is KXYOTCRVNFUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(13-14-8-10-18-11-9-14)17(20)15-6-5-7-16(12-15)21-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 6466465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).