N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide

C16H31NO2 — CID 112686677

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
SMILESCCC(C)(C)C1CCC(NC(=O)COC(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-6-16(4,5)13-7-9-14(10-8-13)17-15(18)11-19-12(2)3/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKeyOQROKPLFCAFREK-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.52
Rot. Bonds6

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide (PubChem CID 112686677) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
PubChem CID112686677
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
SMILESCCC(C)(C)C1CCC(NC(=O)COC(C)C)CC1
InChIInChI=1S/C16H31NO2/c1-6-16(4,5)13-7-9-14(10-8-13)17-15(18)11-19-12(2)3/h12-14H,6-11H2,1-5H3,(H,17,18)
InChIKeyOQROKPLFCAFREK-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
2-(3-methylazetidin-3-yl)oxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 102610960
methyl 4-[(2-propan-2-yloxyacetyl)amino]cyclohexane-1-carboxylate
CID 112690018
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide (CID 112686677) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide is CCC(C)(C)C1CCC(NC(=O)COC(C)C)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide?
The InChIKey is OQROKPLFCAFREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-6-16(4,5)13-7-9-14(10-8-13)17-15(18)11-19-12(2)3/h12-14H,6-11H2,1-5H3,(H,17,18).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide has a molecular weight of 269.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112686677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).