N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide

C11H22ClNO2 — CID 107156886

IUPACN-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C11H22ClNO2/c1-5-15-8-10(14)13-7-9(12)6-11(2,3)4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyRMEYCQRXEQELAW-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.18
Rot. Bonds6

About N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide

N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide (PubChem CID 107156886) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
PubChem CID107156886
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NCC(Cl)CC(C)(C)C
InChIInChI=1S/C11H22ClNO2/c1-5-15-8-10(14)13-7-9(12)6-11(2,3)4/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyRMEYCQRXEQELAW-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.18
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-chloro-4,4-dimethylpentyl)-2-propan-2-yloxyacetamide
CID 107156914
methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
CID 103492943
N-(2-chloro-4,4-dimethylpentyl)heptanamide
CID 107156793
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
2-ethoxy-N-(2-ethoxypropyl)acetamide
CID 115648995
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
N-(3-bromo-2,2-dimethylpropyl)-2-ethoxyacetamide
CID 115364825
N-(2-chloro-4,4-dimethylpentyl)-4-phenylbutanamide
CID 107156998
N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
CID 106143075
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxybenzamide
CID 107157094
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide (CID 107156886) is N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide is CCOCC(=O)NCC(Cl)CC(C)(C)C.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide?
The InChIKey is RMEYCQRXEQELAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-5-15-8-10(14)13-7-9(12)6-11(2,3)4/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide?
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide has a molecular weight of 235.75 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide is sourced from PubChem (CID 107156886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).