2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C29H40N2O3 — CID 17179725

IUPAC2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)CC1
InChIInChI=1S/C29H40N2O3/c1-20-14-16-31(17-15-20)27(33)21-8-11-23(12-9-21)30-26(32)19-34-25-13-10-22(28(2,3)4)18-24(25)29(5,6)7/h8-13,18,20H,14-17,19H2,1-7H3,(H,30,32)
InChIKeyXAPUPRFDLIXKBK-UHFFFAOYSA-N
MW464.65 g/mol
LogP6.17
Rot. Bonds5

About 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 17179725) has the molecular formula C29H40N2O3 and a molecular weight of 464.65 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID17179725
Molecular FormulaC29H40N2O3
Molecular Weight464.65 g/mol
Exact Mass464.30
IUPAC Name2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)CC1
InChIInChI=1S/C29H40N2O3/c1-20-14-16-31(17-15-20)27(33)21-8-11-23(12-9-21)30-26(32)19-34-25-13-10-22(28(2,3)4)18-24(25)29(5,6)7/h8-13,18,20H,14-17,19H2,1-7H3,(H,30,32)
InChIKeyXAPUPRFDLIXKBK-UHFFFAOYSA-N
XLogP6.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
2-(4-bromophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179624
propyl 4-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]benzoate
CID 17356495
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
2-(2,4-ditert-butylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560992
N-(4-chlorophenyl)-2-[2-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
CID 126239726
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2,4-ditert-butylphenoxy)acetamide
CID 17160244
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 17179725) is 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is XAPUPRFDLIXKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3/c1-20-14-16-31(17-15-20)27(33)21-8-11-23(12-9-21)30-26(32)19-34-25-13-10-22(28(2,3)4)18-24(25)29(5,6)7/h8-13,18,20H,14-17,19H2,1-7H3,(H,30,32).
What are the key properties of 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 464.65 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 17179725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).