N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide

C12H25NO2 — CID 112695628

IUPACN-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
SMILESCCC(C)CC(C)NC(=O)COC(C)C
InChIInChI=1S/C12H25NO2/c1-6-10(4)7-11(5)13-12(14)8-15-9(2)3/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyJKDSUPOOTVVEKO-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds7

About N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide

N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide (PubChem CID 112695628) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
PubChem CID112695628
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
SMILESCCC(C)CC(C)NC(=O)COC(C)C
InChIInChI=1S/C12H25NO2/c1-6-10(4)7-11(5)13-12(14)8-15-9(2)3/h9-11H,6-8H2,1-5H3,(H,13,14)
InChIKeyJKDSUPOOTVVEKO-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromobutan-2-yl)-2-propan-2-yloxyacetamide
CID 112604224
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
CID 103920021
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
N-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
CID 112604192
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
N-pent-4-yn-2-yl-2-propan-2-yloxyacetamide
CID 115661966
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
CID 115647124
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
CID 20799020
tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate
CID 103852212
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119789209

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide (CID 112695628) is N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide is CCC(C)CC(C)NC(=O)COC(C)C.
What is the InChIKey of N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide?
The InChIKey is JKDSUPOOTVVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-10(4)7-11(5)13-12(14)8-15-9(2)3/h9-11H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide?
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide has a molecular weight of 215.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112695628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).