2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide

C18H24ClNO4 — CID 20871717

IUPAC2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
SMILESCC(C)C(=O)CC(NC(=O)COc1ccc(Cl)cc1)C(=O)C(C)C
InChIInChI=1S/C18H24ClNO4/c1-11(2)16(21)9-15(18(23)12(3)4)20-17(22)10-24-14-7-5-13(19)6-8-14/h5-8,11-12,15H,9-10H2,1-4H3,(H,20,22)
InChIKeyJJQKKSZPAFNQAZ-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.04
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide

2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide (PubChem CID 20871717) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
PubChem CID20871717
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide
SMILESCC(C)C(=O)CC(NC(=O)COc1ccc(Cl)cc1)C(=O)C(C)C
InChIInChI=1S/C18H24ClNO4/c1-11(2)16(21)9-15(18(23)12(3)4)20-17(22)10-24-14-7-5-13(19)6-8-14/h5-8,11-12,15H,9-10H2,1-4H3,(H,20,22)
InChIKeyJJQKKSZPAFNQAZ-UHFFFAOYSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
2-(4-chlorophenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217637
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-oxobutan-2-yl]acetamide
CID 88598926
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 9157741
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide (CID 20871717) is 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide is CC(C)C(=O)CC(NC(=O)COc1ccc(Cl)cc1)C(=O)C(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
The InChIKey is JJQKKSZPAFNQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO4/c1-11(2)16(21)9-15(18(23)12(3)4)20-17(22)10-24-14-7-5-13(19)6-8-14/h5-8,11-12,15H,9-10H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide?
2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2,7-dimethyl-3,6-dioxooctan-4-yl)acetamide is sourced from PubChem (CID 20871717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).