2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide

C28H40N2O2 — CID 35579281

IUPAC2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1
InChIInChI=1S/C28H40N2O2/c1-5-6-20-32-26-13-9-8-12-24(26)27(31)29-21-25(30-18-10-7-11-19-30)22-14-16-23(17-15-22)28(2,3)4/h8-9,12-17,25H,5-7,10-11,18-21H2,1-4H3,(H,29,31)/t25-/m0/s1
InChIKeyJXHGUTMLPDRNII-VWLOTQADSA-N
MW436.64 g/mol
LogP6.12
Rot. Bonds9

About 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide

2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 35579281) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID35579281
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1
InChIInChI=1S/C28H40N2O2/c1-5-6-20-32-26-13-9-8-12-24(26)27(31)29-21-25(30-18-10-7-11-19-30)22-14-16-23(17-15-22)28(2,3)4/h8-9,12-17,25H,5-7,10-11,18-21H2,1-4H3,(H,29,31)/t25-/m0/s1
InChIKeyJXHGUTMLPDRNII-VWLOTQADSA-N
XLogP6.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.12
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

2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide (CID 35579281) is 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide is CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1.
What is the InChIKey of 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is JXHGUTMLPDRNII-VWLOTQADSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-5-6-20-32-26-13-9-8-12-24(26)27(31)29-21-25(30-18-10-7-11-19-30)22-14-16-23(17-15-22)28(2,3)4/h8-9,12-17,25H,5-7,10-11,18-21H2,1-4H3,(H,29,31)/t25-/m0/s1.
What are the key properties of 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide?
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 436.64 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 35579281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).