4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide

C23H28N2O3 — CID 7687807

IUPAC4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-4-15-28-20-12-9-18(10-13-20)23(27)24-19-11-8-17(2)21(16-19)25-14-6-5-7-22(25)26/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)
InChIKeyHKGDLBNSJWCPNZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.94
Rot. Bonds7

About 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide

4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687807) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687807
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-4-15-28-20-12-9-18(10-13-20)23(27)24-19-11-8-17(2)21(16-19)25-14-6-5-7-22(25)26/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)
InChIKeyHKGDLBNSJWCPNZ-UHFFFAOYSA-N
XLogP4.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984
N-(3-amino-4-pyrrolidin-1-ylphenyl)-4-butoxybenzamide;N-methylmethanamine
CID 142931385
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687807) is 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1.
What is the InChIKey of 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is HKGDLBNSJWCPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-4-15-28-20-12-9-18(10-13-20)23(27)24-19-11-8-17(2)21(16-19)25-14-6-5-7-22(25)26/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27).
What are the key properties of 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide?
4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).