N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide

C10H20ClNO2 — CID 112604117

IUPACN-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide
SMILESCC(CCCl)CNC(=O)COC(C)C
InChIInChI=1S/C10H20ClNO2/c1-8(2)14-7-10(13)12-6-9(3)4-5-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyDNGKQULZAULUSU-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.79
Rot. Bonds7

About N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide

N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide (PubChem CID 112604117) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide
PubChem CID112604117
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC NameN-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide
SMILESCC(CCCl)CNC(=O)COC(C)C
InChIInChI=1S/C10H20ClNO2/c1-8(2)14-7-10(13)12-6-9(3)4-5-11/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyDNGKQULZAULUSU-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.79
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-(2-aminopropyl)-2-propan-2-yloxyacetamide
CID 112603386
N-(4-chloro-2-methylbutyl)-2-methylpropanamide
CID 114306119
N-(2-chloro-4,4-dimethylpentyl)-2-propan-2-yloxyacetamide
CID 107156914
N-(4-chloro-2-methylbutyl)nonanamide
CID 114306121
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
N-(4-chloro-2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114306229
methyl 2-[(2-propan-2-yloxyacetyl)amino]acetate
CID 112686620
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
2-chloro-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089686
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
(3S)-5-methyl-3-[[(2-propan-2-yloxyacetyl)amino]methyl]hexanoic acid
CID 103940346

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide (CID 112604117) is N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide is CC(CCCl)CNC(=O)COC(C)C.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide?
The InChIKey is DNGKQULZAULUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2/c1-8(2)14-7-10(13)12-6-9(3)4-5-11/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide?
N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide has a molecular weight of 221.73 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112604117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).