2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide

C17H24ClNO3 — CID 91764944

IUPAC2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCCO1)C(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C17H24ClNO3/c1-3-19(11-15-6-4-5-9-21-15)17(20)12-22-16-8-7-14(18)10-13(16)2/h7-8,10,15H,3-6,9,11-12H2,1-2H3
InChIKeyAYVOMUZWRBBQEI-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide (PubChem CID 91764944) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
PubChem CID91764944
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCCO1)C(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C17H24ClNO3/c1-3-19(11-15-6-4-5-9-21-15)17(20)12-22-16-8-7-14(18)10-13(16)2/h7-8,10,15H,3-6,9,11-12H2,1-2H3
InChIKeyAYVOMUZWRBBQEI-UHFFFAOYSA-N
XLogP3.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide (CID 91764944) is 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide is CCN(CC1CCCCO1)C(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is AYVOMUZWRBBQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-3-19(11-15-6-4-5-9-21-15)17(20)12-22-16-8-7-14(18)10-13(16)2/h7-8,10,15H,3-6,9,11-12H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 325.84 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 91764944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).