N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide

C12H25NO3 — CID 104625347

IUPACN-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
SMILESCOCCC(C)(C)CNC(=O)COC(C)C
InChIInChI=1S/C12H25NO3/c1-10(2)16-8-11(14)13-9-12(3,4)6-7-15-5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyDPGMFZNHOIRSLJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.59
Rot. Bonds8

About N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide

N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide (PubChem CID 104625347) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
PubChem CID104625347
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide
SMILESCOCCC(C)(C)CNC(=O)COC(C)C
InChIInChI=1S/C12H25NO3/c1-10(2)16-8-11(14)13-9-12(3,4)6-7-15-5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyDPGMFZNHOIRSLJ-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 112686620
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-propan-2-yloxyacetamide
CID 103840231
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-propan-2-yloxyacetamide
CID 103800058
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944415
N-(2-chloro-4,4-dimethylpentyl)-2-propan-2-yloxyacetamide
CID 107156914
N-(5-amino-2,2-dimethylpentyl)-4-methoxy-3-methylbutanamide
CID 106140831
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide (CID 104625347) is N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide is COCCC(C)(C)CNC(=O)COC(C)C.
What is the InChIKey of N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide?
The InChIKey is DPGMFZNHOIRSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)16-8-11(14)13-9-12(3,4)6-7-15-5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide?
N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide has a molecular weight of 231.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,2-dimethylbutyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 104625347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).