2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide

C16H23ClN2O3 — CID 7893813

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C16H23ClN2O3/c1-5-6-18-16(21)19-15(20)9-22-14-8-12(10(2)3)13(17)7-11(14)4/h7-8,10H,5-6,9H2,1-4H3,(H2,18,19,20,21)
InChIKeySKMOFKMMTURMOS-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide (PubChem CID 7893813) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
PubChem CID7893813
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1cc(C(C)C)c(Cl)cc1C
InChIInChI=1S/C16H23ClN2O3/c1-5-6-18-16(21)19-15(20)9-22-14-8-12(10(2)3)13(17)7-11(14)4/h7-8,10H,5-6,9H2,1-4H3,(H2,18,19,20,21)
InChIKeySKMOFKMMTURMOS-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 55221165
4-methyl-3-[2-oxo-2-(propylcarbamoylamino)ethoxy]benzoic acid
CID 60698853
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9355643
3-[[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 26051759
N-(3-acetylphenyl)-2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18276979
methyl 3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoate
CID 43351528
N-(butylcarbamoyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 9355065
2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066908
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066911
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide (CID 7893813) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1cc(C(C)C)c(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide?
The InChIKey is SKMOFKMMTURMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-5-6-18-16(21)19-15(20)9-22-14-8-12(10(2)3)13(17)7-11(14)4/h7-8,10H,5-6,9H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide has a molecular weight of 326.82 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 7893813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).