2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide

C17H26ClNO3 — CID 14279894

IUPAC2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
SMILESCc1cccc(OCC(C)C)c1N(COC(C)C)C(=O)CCl
InChIInChI=1S/C17H26ClNO3/c1-12(2)10-21-15-8-6-7-14(5)17(15)19(16(20)9-18)11-22-13(3)4/h6-8,12-13H,9-11H2,1-5H3
InChIKeyVGENZFWQPCCFCZ-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.98
Rot. Bonds8

About 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide

2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide (PubChem CID 14279894) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
PubChem CID14279894
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
SMILESCc1cccc(OCC(C)C)c1N(COC(C)C)C(=O)CCl
InChIInChI=1S/C17H26ClNO3/c1-12(2)10-21-15-8-6-7-14(5)17(15)19(16(20)9-18)11-22-13(3)4/h6-8,12-13H,9-11H2,1-5H3
InChIKeyVGENZFWQPCCFCZ-UHFFFAOYSA-N
XLogP3.98
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.98
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-propan-2-yloxyphenyl)-N-(2-methylpropoxymethyl)acetamide
CID 21299001
2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
CID 21299009
2-chloro-N-(2-ethyl-6-methoxyphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 154111334
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-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
CID 14279893
N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 66617334
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide
CID 12855575
2-chloro-N-(1,3-dithiolan-2-ylmethyl)-N-(2-methoxy-6-methylphenyl)acetamide
CID 21403983
2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 19855646
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide (CID 14279894) is 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide is Cc1cccc(OCC(C)C)c1N(COC(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide?
The InChIKey is VGENZFWQPCCFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-12(2)10-21-15-8-6-7-14(5)17(15)19(16(20)9-18)11-22-13(3)4/h6-8,12-13H,9-11H2,1-5H3.
What are the key properties of 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide?
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide has a molecular weight of 327.85 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide is sourced from PubChem (CID 14279894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).