2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

C23H30N2O4 — CID 108552688

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C23H30N2O4/c1-16-7-8-19(18(14-16)23(2,3)4)29-15-21(26)24-17-9-11-25(12-10-17)22(27)20-6-5-13-28-20/h5-8,13-14,17H,9-12,15H2,1-4H3,(H,24,26)
InChIKeyHKOLDZOZKUIAAK-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108552688) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID108552688
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C23H30N2O4/c1-16-7-8-19(18(14-16)23(2,3)4)29-15-21(26)24-17-9-11-25(12-10-17)22(27)20-6-5-13-28-20/h5-8,13-14,17H,9-12,15H2,1-4H3,(H,24,26)
InChIKeyHKOLDZOZKUIAAK-UHFFFAOYSA-N
XLogP3.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
CID 108552692
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 108552716
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
3-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 18149437
2-(4-cyanophenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 46510338
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938277
(3R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35819953
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide (CID 108552688) is 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is HKOLDZOZKUIAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16-7-8-19(18(14-16)23(2,3)4)29-15-21(26)24-17-9-11-25(12-10-17)22(27)20-6-5-13-28-20/h5-8,13-14,17H,9-12,15H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).