2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C24H30N2O3 — CID 4941081

IUPAC2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H30N2O3/c1-3-4-17-29-22-12-8-6-10-20(22)23(27)25-21-11-7-5-9-19(21)24(28)26-15-13-18(2)14-16-26/h5-12,18H,3-4,13-17H2,1-2H3,(H,25,27)
InChIKeyAKOOGFOLGCZBHR-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.99
Rot. Bonds7

About 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 4941081) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID4941081
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H30N2O3/c1-3-4-17-29-22-12-8-6-10-20(22)23(27)25-21-11-7-5-9-19(21)24(28)26-15-13-18(2)14-16-26/h5-12,18H,3-4,13-17H2,1-2H3,(H,25,27)
InChIKeyAKOOGFOLGCZBHR-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.99
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

5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17350054
2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4943602
2-butoxy-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4941482
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954695
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 17179834
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
CID 4945241
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 4942705
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 4941081) is 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is AKOOGFOLGCZBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-4-17-29-22-12-8-6-10-20(22)23(27)25-21-11-7-5-9-19(21)24(28)26-15-13-18(2)14-16-26/h5-12,18H,3-4,13-17H2,1-2H3,(H,25,27).
What are the key properties of 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4941081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).