4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide

C20H25N3O2 — CID 166292590

IUPAC4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(CC(=O)N(C)C)cc1)c1ccccn1
InChIInChI=1S/C20H25N3O2/c1-4-7-18(17-8-5-6-13-21-17)22-20(25)16-11-9-15(10-12-16)14-19(24)23(2)3/h5-6,8-13,18H,4,7,14H2,1-3H3,(H,22,25)
InChIKeyZQRYQSKEPJRZOF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.98
Rot. Bonds7

About 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide

4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide (PubChem CID 166292590) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide
PubChem CID166292590
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(CC(=O)N(C)C)cc1)c1ccccn1
InChIInChI=1S/C20H25N3O2/c1-4-7-18(17-8-5-6-13-21-17)22-20(25)16-11-9-15(10-12-16)14-19(24)23(2)3/h5-6,8-13,18H,4,7,14H2,1-3H3,(H,22,25)
InChIKeyZQRYQSKEPJRZOF-UHFFFAOYSA-N
XLogP2.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)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

N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69375151
2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide
CID 97250763
2,5,6-trimethyl-3-oxo-N-(1-pyridin-2-ylbutyl)pyridazine-4-carboxamide
CID 75395232
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1R)-1-pyridin-2-ylbutyl]urea
CID 97242365
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylbutyl]urea
CID 97326954
N-(3-hydroxy-1-pyridin-2-ylpropyl)-5-propan-2-ylnaphthalene-2-carboxamide
CID 176698784
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
CID 103878434
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide (CID 166292590) is 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide is CCCC(NC(=O)c1ccc(CC(=O)N(C)C)cc1)c1ccccn1.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide?
The InChIKey is ZQRYQSKEPJRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-7-18(17-8-5-6-13-21-17)22-20(25)16-11-9-15(10-12-16)14-19(24)23(2)3/h5-6,8-13,18H,4,7,14H2,1-3H3,(H,22,25).
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide?
4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide is sourced from PubChem (CID 166292590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).