2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide

C12H25N3O2 — CID 119599438

IUPAC2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
SMILESCC(=O)N(C)CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)6-12(4,8-13)14-11(17)7-15(5)10(3)16/h9H,6-8,13H2,1-5H3,(H,14,17)
InChIKeySZDDDAFVTDAZMG-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds6

About 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide

2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide (PubChem CID 119599438) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
PubChem CID119599438
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
SMILESCC(=O)N(C)CC(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)6-12(4,8-13)14-11(17)7-15(5)10(3)16/h9H,6-8,13H2,1-5H3,(H,14,17)
InChIKeySZDDDAFVTDAZMG-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide (CID 119599438) is 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide is CC(=O)N(C)CC(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide?
The InChIKey is SZDDDAFVTDAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)6-12(4,8-13)14-11(17)7-15(5)10(3)16/h9H,6-8,13H2,1-5H3,(H,14,17).
What are the key properties of 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide?
2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide is sourced from PubChem (CID 119599438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).