2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide

C16H24ClNO2 — CID 112775393

IUPAC2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C16H24ClNO2/c1-6-13-9-14(7-8-15(13)17)20-10-16(19)18(11(2)3)12(4)5/h7-9,11-12H,6,10H2,1-5H3
InChIKeyWHLUFHMVZCFNQG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.93
Rot. Bonds6

About 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide

2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide (PubChem CID 112775393) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
PubChem CID112775393
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1Cl
InChIInChI=1S/C16H24ClNO2/c1-6-13-9-14(7-8-15(13)17)20-10-16(19)18(11(2)3)12(4)5/h7-9,11-12H,6,10H2,1-5H3
InChIKeyWHLUFHMVZCFNQG-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(4-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 19165748
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
(E)-4-(4-chloro-3-ethylphenoxy)-3-methylbut-2-enoic acid
CID 55236326
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
2-(4-chloro-3-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16545130
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
CID 114496029
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide (CID 112775393) is 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide is CCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide?
The InChIKey is WHLUFHMVZCFNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-6-13-9-14(7-8-15(13)17)20-10-16(19)18(11(2)3)12(4)5/h7-9,11-12H,6,10H2,1-5H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide?
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide has a molecular weight of 297.83 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 112775393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).