N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C11H22ClNO2 — CID 112604100

IUPACN-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(C)(CCl)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H22ClNO2/c1-6-11(5,8-12)13-9(14)7-15-10(2,3)4/h6-8H2,1-5H3,(H,13,14)
InChIKeyYRHGJHNLIUQKSB-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.33
Rot. Bonds5

About N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112604100) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112604100
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCC(C)(CCl)NC(=O)COC(C)(C)C
InChIInChI=1S/C11H22ClNO2/c1-6-11(5,8-12)13-9(14)7-15-10(2,3)4/h6-8H2,1-5H3,(H,13,14)
InChIKeyYRHGJHNLIUQKSB-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)propanamide
CID 114303581
N-(1-amino-3-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106164834
N-(1-chloro-2-methylbutan-2-yl)-3,3,3-trifluoropropanamide
CID 114303828
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104630084
N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604183
N-(1-chloro-3-methylpentan-3-yl)-2-propan-2-yloxyacetamide
CID 106168242
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
N-ethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetamide
CID 112605003
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114303730
N-(1-amino-2-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112604252
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112604100) is N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CCC(C)(CCl)NC(=O)COC(C)(C)C.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is YRHGJHNLIUQKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-6-11(5,8-12)13-9(14)7-15-10(2,3)4/h6-8H2,1-5H3,(H,13,14).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 235.75 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112604100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).