(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide

C12H24N2O2 — CID 89013212

IUPAC(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](CC(C)C)C(C)(C)NC(C)=O
InChIInChI=1S/C12H24N2O2/c1-8(2)7-10(11(16)13-6)12(4,5)14-9(3)15/h8,10H,7H2,1-6H3,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKeyWANYCMAYBPRMMW-SNVBAGLBSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds5

About (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide

(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide (PubChem CID 89013212) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide
PubChem CID89013212
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](CC(C)C)C(C)(C)NC(C)=O
InChIInChI=1S/C12H24N2O2/c1-8(2)7-10(11(16)13-6)12(4,5)14-9(3)15/h8,10H,7H2,1-6H3,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKeyWANYCMAYBPRMMW-SNVBAGLBSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-3-(methylamino)butan-2-yl]acetamide
CID 170339118
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2S)-2-bromo-N,4-dimethylpentanamide
CID 59001731
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylpentanamide
CID 163254959
N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
CID 163676270
N-(2,3-dimethylpent-4-en-2-yl)acetamide
CID 143357201
2-acetamido-N,2-dimethylbutanamide
CID 71329562
(2R)-N-methyl-2-(4-methylpentan-2-ylamino)propanamide
CID 103932028
N-(2,4-dimethyl-5-oxohexan-2-yl)acetamide
CID 153336695
4,4-dimethyl-3-(methylcarbamoyl)pentanoic acid
CID 147876224
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide (CID 89013212) is (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide is CNC(=O)[C@@H](CC(C)C)C(C)(C)NC(C)=O.
What is the InChIKey of (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide?
The InChIKey is WANYCMAYBPRMMW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)7-10(11(16)13-6)12(4,5)14-9(3)15/h8,10H,7H2,1-6H3,(H,13,16)(H,14,15)/t10-/m1/s1.
What are the key properties of (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide?
(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide is sourced from PubChem (CID 89013212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).