N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide

C11H23NO2 — CID 155398854

IUPACN-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
SMILESCC(=O)NCC(C)(C)COC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(13)12-7-11(5,6)8-14-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKeyWSRYYJKAIZWXJC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.96
Rot. Bonds4

About N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide

N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide (PubChem CID 155398854) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
PubChem CID155398854
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide
SMILESCC(=O)NCC(C)(C)COC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-9(13)12-7-11(5,6)8-14-10(2,3)4/h7-8H2,1-6H3,(H,12,13)
InChIKeyWSRYYJKAIZWXJC-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)acetamide
CID 104625400
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
N-(2-methyl-2-sulfanylpropyl)acetamide
CID 10374590
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
CID 147135875
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
2-hydroxy-N-[2,2,4,4-tetramethyl-5-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentyl]acetamide
CID 167513173
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756
bis[3-[(2-amino-2-methylpropanoyl)amino]-2,2-dimethylpropyl] oxalate
CID 57069971
tert-butyl N-[3-(3-bromo-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 147498058

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
The IUPAC name of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide (CID 155398854) is N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
The canonical SMILES for N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide is CC(=O)NCC(C)(C)COC(C)(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
The InChIKey is WSRYYJKAIZWXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13)12-7-11(5,6)8-14-10(2,3)4/h7-8H2,1-6H3,(H,12,13).
What are the key properties of N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide?
N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide has a molecular weight of 201.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]propyl]acetamide is sourced from PubChem (CID 155398854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).