2-acetamido-N-(4,4-dimethylpentyl)propanamide

C12H24N2O2 — CID 162466533

IUPAC2-acetamido-N-(4,4-dimethylpentyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(14-10(2)15)11(16)13-8-6-7-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyIWEXKIPDTNKMEZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.45
Rot. Bonds5

About 2-acetamido-N-(4,4-dimethylpentyl)propanamide

2-acetamido-N-(4,4-dimethylpentyl)propanamide (PubChem CID 162466533) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-acetamido-N-(4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4,4-dimethylpentyl)propanamide
PubChem CID162466533
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-acetamido-N-(4,4-dimethylpentyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(14-10(2)15)11(16)13-8-6-7-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyIWEXKIPDTNKMEZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
[(2S)-1-(3,3-dimethylbutylamino)-1-oxopropan-2-yl]carbamic acid
CID 142903182
2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
methyl 6-(2-acetamidopropanoylamino)hexanoate
CID 43404542
N-(2,7,7-trimethyloctan-3-yl)acetamide
CID 144535595
3-amino-N-(5,5-dimethylhexyl)-2-methylbutanamide
CID 120500484
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4,4-dimethylpentyl)propanamide?
The IUPAC name of 2-acetamido-N-(4,4-dimethylpentyl)propanamide (CID 162466533) is 2-acetamido-N-(4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4,4-dimethylpentyl)propanamide?
The canonical SMILES for 2-acetamido-N-(4,4-dimethylpentyl)propanamide is CC(=O)NC(C)C(=O)NCCCC(C)(C)C.
What is the InChIKey of 2-acetamido-N-(4,4-dimethylpentyl)propanamide?
The InChIKey is IWEXKIPDTNKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(14-10(2)15)11(16)13-8-6-7-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-N-(4,4-dimethylpentyl)propanamide?
2-acetamido-N-(4,4-dimethylpentyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 162466533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).