N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide

C14H20ClNO2 — CID 67820696

IUPACN-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide
SMILESCCC(C)OCc1cccc(C)c1NC(=O)CCl
InChIInChI=1S/C14H20ClNO2/c1-4-11(3)18-9-12-7-5-6-10(2)14(12)16-13(17)8-15/h5-7,11H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyRMOAFGASHZHEMG-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide

N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide (PubChem CID 67820696) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide
PubChem CID67820696
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide
SMILESCCC(C)OCc1cccc(C)c1NC(=O)CCl
InChIInChI=1S/C14H20ClNO2/c1-4-11(3)18-9-12-7-5-6-10(2)14(12)16-13(17)8-15/h5-7,11H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyRMOAFGASHZHEMG-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.49
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

2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
CID 14279893
(2S,3S)-2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099909
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
2-amino-6-(butan-2-yloxymethyl)benzoic acid
CID 104825450
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-(2-tert-butyl-6-ethylphenyl)-2-chloroacetamide
CID 18630159
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide?
The IUPAC name of N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide (CID 67820696) is N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide?
The canonical SMILES for N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide is CCC(C)OCc1cccc(C)c1NC(=O)CCl.
What is the InChIKey of N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide?
The InChIKey is RMOAFGASHZHEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-11(3)18-9-12-7-5-6-10(2)14(12)16-13(17)8-15/h5-7,11H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide?
N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide has a molecular weight of 269.77 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide is sourced from PubChem (CID 67820696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).