3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide

C18H21N3O2 — CID 110757164

IUPAC3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(23)16-5-4-6-17(13-16)20-14(2)22/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22)
InChIKeyKOYIHMNTIPOLEM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.74
Rot. Bonds6

About 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide

3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110757164) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110757164
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H21N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(23)16-5-4-6-17(13-16)20-14(2)22/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22)
InChIKeyKOYIHMNTIPOLEM-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N'-ethyl-N-(3-nitrophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108513324
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (CID 110757164) is 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is CCN(CCc1ccncc1)C(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is KOYIHMNTIPOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(23)16-5-4-6-17(13-16)20-14(2)22/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,20,22).
What are the key properties of 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110757164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).