N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C12H23NO3 — CID 58062415

IUPACN-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-11(2,3)9(14)7-13-10(15)8-16-12(4,5)6/h7-8H2,1-6H3,(H,13,15)
InChIKeyNHNHWIMJPNLKHU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.53
Rot. Bonds4

About N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 58062415) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID58062415
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-11(2,3)9(14)7-13-10(15)8-16-12(4,5)6/h7-8H2,1-6H3,(H,13,15)
InChIKeyNHNHWIMJPNLKHU-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
N-(2-bromoprop-2-enyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968521
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[2-(dimethylamino)-2-methylpropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604358
N-(4-hydroxybutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106843199
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712
methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
CID 77231289
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102
2-hydroxy-N-[2,2,4,4-tetramethyl-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide
CID 167513173

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 58062415) is N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NHNHWIMJPNLKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)9(14)7-13-10(15)8-16-12(4,5)6/h7-8H2,1-6H3,(H,13,15).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 229.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 58062415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).