N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide

C15H22ClNO2 — CID 11312129

IUPACN-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
SMILESCCCCOCN(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C15H22ClNO2/c1-4-5-9-19-11-17(14(18)10-16)15-12(2)7-6-8-13(15)3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyZEBFRZKUHKGVMH-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.65
Rot. Bonds7

About N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide

N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide (PubChem CID 11312129) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
PubChem CID11312129
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
SMILESCCCCOCN(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C15H22ClNO2/c1-4-5-9-19-11-17(14(18)10-16)15-12(2)7-6-8-13(15)3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyZEBFRZKUHKGVMH-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)acetamide;2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 70554525
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 13022595
4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide;N-(butoxymethyl)-N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
CID 67544760
propyl N-(2-chloroacetyl)-N-(2,6-dimethylphenyl)carbamate
CID 175159773
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
CID 12810715
2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
CID 21299009
2-chloro-N-(2-methyl-6-propan-2-yloxyphenyl)-N-(2-methylpropoxymethyl)acetamide
CID 21299001
N-(2-butoxyiminoethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 88710767
N-(butoxymethyl)-2-chloro-3,3-dimethyl-N-(2-methylphenyl)butanamide
CID 20526820
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720

Frequently Asked Questions

What is the IUPAC name of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide (CID 11312129) is N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide is CCCCOCN(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is ZEBFRZKUHKGVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-5-9-19-11-17(14(18)10-16)15-12(2)7-6-8-13(15)3/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide?
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 283.80 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 11312129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).