2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide

C15H22ClNO3 — CID 154111334

IUPAC2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCCc1cccc(OC)c1N(COC(C)C)C(=O)CCl
InChIInChI=1S/C15H22ClNO3/c1-5-12-7-6-8-13(19-4)15(12)17(14(18)9-16)10-20-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyXFRZNVSLFMONEF-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.21
Rot. Bonds7

About 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide

2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide (PubChem CID 154111334) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
PubChem CID154111334
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCCc1cccc(OC)c1N(COC(C)C)C(=O)CCl
InChIInChI=1S/C15H22ClNO3/c1-5-12-7-6-8-13(19-4)15(12)17(14(18)9-16)10-20-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyXFRZNVSLFMONEF-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
CID 14279894
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
N-(2-tert-butyl-6-methoxyphenyl)-2-chloro-N-(methoxymethyl)acetamide
CID 21299002
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 21424325
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 70292332
2-chloro-N-(diethoxyphosphorylmethyl)-N-(2,6-diethylphenyl)acetamide
CID 15685142
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-(2-methyl-6-propan-2-yloxyphenyl)-N-(2-methylpropoxymethyl)acetamide
CID 21299001
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;6-chloro-2-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 21124454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide (CID 154111334) is 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide is CCc1cccc(OC)c1N(COC(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide?
The InChIKey is XFRZNVSLFMONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-5-12-7-6-8-13(19-4)15(12)17(14(18)9-16)10-20-11(2)3/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide?
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide is sourced from PubChem (CID 154111334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).