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

C24H30N2O3 — CID 17141296

IUPAC4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-18(3)29-20-11-9-19(10-12-20)23(27)25-22-8-6-5-7-21(22)24(28)26-15-13-17(2)14-16-26/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,27)
InChIKeyVBVQKZJREBMYIT-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.99
Rot. Bonds6

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

4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 17141296) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID17141296
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-4-18(3)29-20-11-9-19(10-12-20)23(27)25-22-8-6-5-7-21(22)24(28)26-15-13-17(2)14-16-26/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,27)
InChIKeyVBVQKZJREBMYIT-UHFFFAOYSA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

4-butan-2-yloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17141594
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
CID 4945241
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-butan-2-yloxybenzamide
CID 17141607
3-butan-2-yloxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17149777
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
CID 109044984
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 4939471
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037
4-(2-ethoxyethoxy)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17112986
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 17141296) is 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is VBVQKZJREBMYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-18(3)29-20-11-9-19(10-12-20)23(27)25-22-8-6-5-7-21(22)24(28)26-15-13-17(2)14-16-26/h5-12,17-18H,4,13-16H2,1-3H3,(H,25,27).
What are the key properties of 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17141296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).