2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide

C19H30ClNO3 — CID 21299009

IUPAC2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
SMILESCc1cccc(OCCC(C)C)c1N(COCC(C)C)C(=O)CCl
InChIInChI=1S/C19H30ClNO3/c1-14(2)9-10-24-17-8-6-7-16(5)19(17)21(18(22)11-20)13-23-12-15(3)4/h6-8,14-15H,9-13H2,1-5H3
InChIKeyHEVZTBMPSRGVEK-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.62
Rot. Bonds10

About 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide

2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide (PubChem CID 21299009) has the molecular formula C19H30ClNO3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
PubChem CID21299009
Molecular FormulaC19H30ClNO3
Molecular Weight355.91 g/mol
Exact Mass355.19
IUPAC Name2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide
SMILESCc1cccc(OCCC(C)C)c1N(COCC(C)C)C(=O)CCl
InChIInChI=1S/C19H30ClNO3/c1-14(2)9-10-24-17-8-6-7-16(5)19(17)21(18(22)11-20)13-23-12-15(3)4/h6-8,14-15H,9-13H2,1-5H3
InChIKeyHEVZTBMPSRGVEK-UHFFFAOYSA-N
XLogP4.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.62
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-(2-methylpropoxy)phenyl]-N-(propan-2-yloxymethyl)acetamide
CID 14279894
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
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-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 13022595
2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide
CID 70425140
2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 19855646
2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
CID 67914778
2-chloro-N-[2-(2-fluoroethoxy)-6-methylphenyl]-N-(1-pyrazol-1-ylethyl)acetamide
CID 88659332
2-chloro-N-(1,3-dithiolan-2-ylmethyl)-N-(2-methoxy-6-methylphenyl)acetamide
CID 21403983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide (CID 21299009) is 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide is Cc1cccc(OCCC(C)C)c1N(COCC(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide?
The InChIKey is HEVZTBMPSRGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO3/c1-14(2)9-10-24-17-8-6-7-16(5)19(17)21(18(22)11-20)13-23-12-15(3)4/h6-8,14-15H,9-13H2,1-5H3.
What are the key properties of 2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide?
2-chloro-N-[2-methyl-6-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide has a molecular weight of 355.91 g/mol, XLogP of 4.62, 10 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-(3-methylbutoxy)phenyl]-N-(2-methylpropoxymethyl)acetamide is sourced from PubChem (CID 21299009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).