2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide

C13H28N2O2 — CID 106146856

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNCC(C)(C)CCO
InChIInChI=1S/C13H28N2O2/c1-11(2)5-7-15-12(17)9-14-10-13(3,4)6-8-16/h11,14,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyQYBVPUZFWWLLRS-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.15
Rot. Bonds9

About 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide (PubChem CID 106146856) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
PubChem CID106146856
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNCC(C)(C)CCO
InChIInChI=1S/C13H28N2O2/c1-11(2)5-7-15-12(17)9-14-10-13(3,4)6-8-16/h11,14,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyQYBVPUZFWWLLRS-UHFFFAOYSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 114125368
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
CID 111503761
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
propan-2-yl 2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetate
CID 106146656
4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide
CID 144656184
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
CID 106147175
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide (CID 106146856) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNCC(C)(C)CCO.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
The InChIKey is QYBVPUZFWWLLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)5-7-15-12(17)9-14-10-13(3,4)6-8-16/h11,14,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 106146856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).