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

C18H21N3O2 — CID 110757168

IUPAC4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(13-10-15-8-11-19-12-9-15)18(23)16-4-6-17(7-5-16)20-14(2)22/h4-9,11-12H,3,10,13H2,1-2H3,(H,20,22)
InChIKeySLRPNIVBVKXLJN-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.74
Rot. Bonds6

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

4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 110757168) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID110757168
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H21N3O2/c1-3-21(13-10-15-8-11-19-12-9-15)18(23)16-4-6-17(7-5-16)20-14(2)22/h4-9,11-12H,3,10,13H2,1-2H3,(H,20,22)
InChIKeySLRPNIVBVKXLJN-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

3-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757164
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide (CID 110757168) is 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is CCN(CCc1ccncc1)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is SLRPNIVBVKXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-21(13-10-15-8-11-19-12-9-15)18(23)16-4-6-17(7-5-16)20-14(2)22/h4-9,11-12H,3,10,13H2,1-2H3,(H,20,22).
What are the key properties of 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide?
4-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 4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 110757168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).