2-acetamido-3-methyl-N-(3-methylbutyl)butanamide

C12H24N2O2 — CID 78784334

IUPAC2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(=O)NC(C(=O)NCCC(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)6-7-13-12(16)11(9(3)4)14-10(5)15/h8-9,11H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyJNOHWSDZOMJSOR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds6

About 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide

2-acetamido-3-methyl-N-(3-methylbutyl)butanamide (PubChem CID 78784334) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound Name2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
PubChem CID78784334
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-acetamido-3-methyl-N-(3-methylbutyl)butanamide
SMILESCC(=O)NC(C(=O)NCCC(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)6-7-13-12(16)11(9(3)4)14-10(5)15/h8-9,11H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyJNOHWSDZOMJSOR-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
methyl 5-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-oxopentanoate
CID 102351841
2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 47168553
tert-butyl 2-[(2-acetamido-3-methylbutanoyl)amino]acetate
CID 142198552
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 101151664
1,3-bis(3-methylbutyl)urea
CID 22563958
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
2-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 79252016
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 54018653
(2S)-2-[[(2S)-2-(acetyl(15N)amino)-3-(113C)methyl(1,2,3,4-13C4)butanoyl]amino]-4-(113C)methyl(1,2,3,4,5-13C5)pentanoic acid
CID 117064517
(3S,4S)-4-amino-3-hydroxy-6-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]heptanamide
CID 90663255

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide?
The IUPAC name of 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide (CID 78784334) is 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide is CC(=O)NC(C(=O)NCCC(C)C)C(C)C.
What is the InChIKey of 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide?
The InChIKey is JNOHWSDZOMJSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)6-7-13-12(16)11(9(3)4)14-10(5)15/h8-9,11H,6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide?
2-acetamido-3-methyl-N-(3-methylbutyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 78784334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).