N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide

C24H38N2O3 — CID 108564984

IUPACN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)CC(C)(C)C)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C24H38N2O3/c1-17-8-9-20(19(14-17)24(5,6)7)29-16-22(28)26-12-10-18(11-13-26)25-21(27)15-23(2,3)4/h8-9,14,18H,10-13,15-16H2,1-7H3,(H,25,27)
InChIKeyWIBFXEVINDUDCK-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.21
Rot. Bonds5

About N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 108564984) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID108564984
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)CC(C)(C)C)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C24H38N2O3/c1-17-8-9-20(19(14-17)24(5,6)7)29-16-22(28)26-12-10-18(11-13-26)25-21(27)15-23(2,3)4/h8-9,14,18H,10-13,15-16H2,1-7H3,(H,25,27)
InChIKeyWIBFXEVINDUDCK-UHFFFAOYSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108564979
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549411
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558293
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550337
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 108552716
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
CID 108552692
2-(2,4-ditert-butylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560992
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 108552688
1-[4-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 108546462
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide (CID 108564984) is N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)CC(C)(C)C)CC2)c(C(C)(C)C)c1.
What is the InChIKey of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is WIBFXEVINDUDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-17-8-9-20(19(14-17)24(5,6)7)29-16-22(28)26-12-10-18(11-13-26)25-21(27)15-23(2,3)4/h8-9,14,18H,10-13,15-16H2,1-7H3,(H,25,27).
What are the key properties of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 402.58 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 108564984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).