2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C25H32N2O3 — CID 4943602

IUPAC2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C25H32N2O3/c1-18(2)14-17-30-23-11-7-5-9-21(23)24(28)26-22-10-6-4-8-20(22)25(29)27-15-12-19(3)13-16-27/h4-11,18-19H,12-17H2,1-3H3,(H,26,28)
InChIKeyRCGIIGTYXSKFNA-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.24
Rot. Bonds7

About 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 4943602) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID4943602
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C25H32N2O3/c1-18(2)14-17-30-23-11-7-5-9-21(23)24(28)26-22-10-6-4-8-20(22)25(29)27-15-12-19(3)13-16-27/h4-11,18-19H,12-17H2,1-3H3,(H,26,28)
InChIKeyRCGIIGTYXSKFNA-UHFFFAOYSA-N
XLogP5.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4941081
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
N-methyl-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 17354028
5-bromo-2-butoxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17350054
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954695
N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 9206565
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
3-bromo-4-(3-methylbutoxy)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17339427
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
2-(3-methylbutoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 4943480

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 4943602) is 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC(C)CCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is RCGIIGTYXSKFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(2)14-17-30-23-11-7-5-9-21(23)24(28)26-22-10-6-4-8-20(22)25(29)27-15-12-19(3)13-16-27/h4-11,18-19H,12-17H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4943602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).