2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide

C12H24N2O2 — CID 118423165

IUPAC2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide
SMILESCC(C)C(C(=O)N[C@H](C=O)C(C)C)N(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)10(7-15)13-12(16)11(9(3)4)14(5)6/h7-11H,1-6H3,(H,13,16)/t10-,11?/m1/s1
InChIKeyGCYIUVXHAKPYJK-NFJWQWPMSA-N
MW228.34 g/mol
LogP0.91
Rot. Bonds6

About 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide

2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide (PubChem CID 118423165) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide
PubChem CID118423165
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide
SMILESCC(C)C(C(=O)N[C@H](C=O)C(C)C)N(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)10(7-15)13-12(16)11(9(3)4)14(5)6/h7-11H,1-6H3,(H,13,16)/t10-,11?/m1/s1
InChIKeyGCYIUVXHAKPYJK-NFJWQWPMSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 87504341
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
CID 166777631
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
(2R)-2,5-diamino-N-[(2R)-3-methyl-1-oxobutan-2-yl]pentanamide
CID 57179994
(2R)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 119363456
2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401
(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
CID 97027520
2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide
CID 119506343
tert-butyl N-[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 51050043
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]hexanoic acid
CID 120614783
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
CID 545985
2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide;bis(2,2,2-trifluoroacetic acid)
CID 175893820

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide?
The IUPAC name of 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide (CID 118423165) is 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide.
What is the SMILES notation for 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide?
The canonical SMILES for 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide is CC(C)C(C(=O)N[C@H](C=O)C(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide?
The InChIKey is GCYIUVXHAKPYJK-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)10(7-15)13-12(16)11(9(3)4)14(5)6/h7-11H,1-6H3,(H,13,16)/t10-,11?/m1/s1.
What are the key properties of 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide?
2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]butanamide is sourced from PubChem (CID 118423165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).