N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C17H31NO3 — CID 172516053

IUPACN-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)15(20)12-7-9-13(10-8-12)18-14(19)11-21-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,19)
InChIKeyAAZSWXASOMFIJL-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 172516053) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID172516053
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NC1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H31NO3/c1-16(2,3)15(20)12-7-9-13(10-8-12)18-14(19)11-21-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,19)
InChIKeyAAZSWXASOMFIJL-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811
2-[(2-methylpropan-2-yl)oxy]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114124423
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
N-[(2R)-2-aminocyclopropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147487636
2-[(2-methylpropan-2-yl)oxy]-N-[6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 112602539
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602740
2-[(2-methylpropan-2-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 112604371
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
N-(1,2-dimethylpiperidin-4-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605581
N-(4-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602524

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 172516053) is N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NC1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is AAZSWXASOMFIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-16(2,3)15(20)12-7-9-13(10-8-12)18-14(19)11-21-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,19).
What are the key properties of N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 297.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoyl)cyclohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 172516053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).