N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide

C12H24N2O2 — CID 123689568

IUPACN-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide
SMILESCCC(C(N)=O)N(C)C(=O)C(C)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-7-9(10(13)15)14(6)11(16)8(2)12(3,4)5/h8-9H,7H2,1-6H3,(H2,13,15)
InChIKeyAWPYUJXACFQZNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.39
Rot. Bonds4

About N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide

N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide (PubChem CID 123689568) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide
PubChem CID123689568
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide
SMILESCCC(C(N)=O)N(C)C(=O)C(C)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-7-9(10(13)15)14(6)11(16)8(2)12(3,4)5/h8-9H,7H2,1-6H3,(H2,13,15)
InChIKeyAWPYUJXACFQZNG-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
2,3,3,4-tetramethylhexanamide
CID 90191700
2-[methyl(propyl)amino]butanamide
CID 62900463
2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
CID 79268327
N-[2-(carbamoylamino)ethyl]-N,2,3,3-tetramethylbutanamide
CID 143855436
N-[2-amino-1-(2,2-dimethylcyclopropyl)-2-oxoethyl]-N,2,3,3-tetramethylbutanamide;1,1,1-trifluoropropan-2-one
CID 170631542
2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide
CID 123925379
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
CID 120687256
2-[cyanomethyl(methyl)amino]butanamide
CID 62900421

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide?
The IUPAC name of N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide (CID 123689568) is N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide.
What is the SMILES notation for N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide?
The canonical SMILES for N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide is CCC(C(N)=O)N(C)C(=O)C(C)C(C)(C)C.
What is the InChIKey of N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide?
The InChIKey is AWPYUJXACFQZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-9(10(13)15)14(6)11(16)8(2)12(3,4)5/h8-9H,7H2,1-6H3,(H2,13,15).
What are the key properties of N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide?
N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxobutan-2-yl)-N,2,3,3-tetramethylbutanamide is sourced from PubChem (CID 123689568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).