N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide

C23H26N2O2 — CID 3903536

IUPACN-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H26N2O2/c1-17(2)21(24-22(26)20-11-7-4-8-12-20)23(27)25-15-13-19(14-16-25)18-9-5-3-6-10-18/h3-13,17,21H,14-16H2,1-2H3,(H,24,26)
InChIKeyABFHZUGHYHKMPD-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.76
Rot. Bonds5

About N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide

N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide (PubChem CID 3903536) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
PubChem CID3903536
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H26N2O2/c1-17(2)21(24-22(26)20-11-7-4-8-12-20)23(27)25-15-13-19(14-16-25)18-9-5-3-6-10-18/h3-13,17,21H,14-16H2,1-2H3,(H,24,26)
InChIKeyABFHZUGHYHKMPD-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]cyclohexanecarboxamide
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N-[(2R)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]benzamide
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CID 61163140
N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
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CID 23851243
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4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 38168396
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
N-[1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide (CID 3903536) is N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide?
The InChIKey is ABFHZUGHYHKMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17(2)21(24-22(26)20-11-7-4-8-12-20)23(27)25-15-13-19(14-16-25)18-9-5-3-6-10-18/h3-13,17,21H,14-16H2,1-2H3,(H,24,26).
What are the key properties of N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide has a molecular weight of 362.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide is sourced from PubChem (CID 3903536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).