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

C14H30N2O2 — CID 114125368

IUPAC2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
SMILESCOCCC(C)(C)CNCC(=O)NCCC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)6-8-16-13(17)10-15-11-14(3,4)7-9-18-5/h12,15H,6-11H2,1-5H3,(H,16,17)
InChIKeyIBWRIYOCXLMGRF-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.80
Rot. Bonds10

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

2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide (PubChem CID 114125368) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
PubChem CID114125368
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
SMILESCOCCC(C)(C)CNCC(=O)NCCC(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)6-8-16-13(17)10-15-11-14(3,4)7-9-18-5/h12,15H,6-11H2,1-5H3,(H,16,17)
InChIKeyIBWRIYOCXLMGRF-UHFFFAOYSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119803026
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954
6-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-4,4-dimethylhexanoic acid
CID 65289318

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide (CID 114125368) is 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide is COCCC(C)(C)CNCC(=O)NCCC(C)C.
What is the InChIKey of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
The InChIKey is IBWRIYOCXLMGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)6-8-16-13(17)10-15-11-14(3,4)7-9-18-5/h12,15H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide?
2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide has a molecular weight of 258.41 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 114125368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).