N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide

C13H26N2O2 — CID 165156817

IUPACN-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide
SMILESCNCC(N(C)C(=O)C(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)11(16)12(17)15(7)10(8-14-6)13(3,4)5/h9-10,14H,8H2,1-7H3
InChIKeyYMZSJAKECVLORG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.30
Rot. Bonds5

About N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide

N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide (PubChem CID 165156817) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide
PubChem CID165156817
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide
SMILESCNCC(N(C)C(=O)C(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(2)11(16)12(17)15(7)10(8-14-6)13(3,4)5/h9-10,14H,8H2,1-7H3
InChIKeyYMZSJAKECVLORG-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethylhexane-3,4-dione;bis(N,3-dimethyl-2-oxo-N-propan-2-ylbutanamide);methane
CID 162215175
N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187736
N-[1-(dimethylamino)-4,4-dimethylpentan-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119888442
N-methyl-N-[1-(methylamino)-3-oxopropan-2-yl]acetamide
CID 167152909
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
N-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
CID 115188783
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893975
3,3-dimethyl-1-(methylamino)butan-2-ol
CID 15635078
4-methyl-5-(methylamino)pentan-2-one
CID 20632141
N-tert-butyl-N-methyl-2-(methylaminomethyl)butanamide
CID 115188782
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide (CID 165156817) is N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide is CNCC(N(C)C(=O)C(=O)C(C)C)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide?
The InChIKey is YMZSJAKECVLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)11(16)12(17)15(7)10(8-14-6)13(3,4)5/h9-10,14H,8H2,1-7H3.
What are the key properties of N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide?
N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N,3-dimethyl-2-oxobutanamide is sourced from PubChem (CID 165156817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).