2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

C11H22N2O3 — CID 66178769

IUPAC2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(=O)NCC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)5-11(4,16)7-13-10(15)6-12-9(3)14/h8,16H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyIPYPBTWHXYINTA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.04
Rot. Bonds6

About 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide

2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 66178769) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID66178769
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(=O)NCC(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-8(2)5-11(4,16)7-13-10(15)6-12-9(3)14/h8,16H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyIPYPBTWHXYINTA-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962399
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
2-acetamido-N-(2-amino-2-methylpropyl)acetamide
CID 81482471
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
2-[2-(aminomethyl)phenyl]-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 81322635
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 114458366
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 66178769) is 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is CC(=O)NCC(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is IPYPBTWHXYINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)5-11(4,16)7-13-10(15)6-12-9(3)14/h8,16H,5-7H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 230.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 66178769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).