2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide

C12H26N2O — CID 60964030

IUPAC2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
SMILESCCC(C)NCC(=O)N(C)CCC(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(4)13-9-12(15)14(5)8-7-10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKeyLWTQCXXTPUHLHI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds7

About 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide

2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide (PubChem CID 60964030) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
PubChem CID60964030
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
SMILESCCC(C)NCC(=O)N(C)CCC(C)C
InChIInChI=1S/C12H26N2O/c1-6-11(4)13-9-12(15)14(5)8-7-10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKeyLWTQCXXTPUHLHI-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
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N,N'-bis(2-methylpropyl)oxamide
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N-cyclopentyl-N'-(3-methylbutyl)ethanediamide
CID 2291046
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
[(1R)-1-[[2-(dimethylamino)acetyl]amino]-3-methylbutyl]boronic acid
CID 53363009
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
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Cyclo-L-Val-L-Val
CID 637596
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide (CID 60964030) is 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide is CCC(C)NCC(=O)N(C)CCC(C)C.
What is the InChIKey of 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide?
The InChIKey is LWTQCXXTPUHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-11(4)13-9-12(15)14(5)8-7-10(2)3/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide?
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide has a molecular weight of 214.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 60964030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).