2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C18H28ClNO2 — CID 94842469

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO2/c1-16(2,3)12-17(4,5)20-15(21)18(6,7)22-14-10-8-13(19)9-11-14/h8-11H,12H2,1-7H3,(H,20,21)
InChIKeyYMLQJEUGWCPZLG-UHFFFAOYSA-N
MW325.88 g/mol
LogP4.83
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 94842469) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID94842469
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO2/c1-16(2,3)12-17(4,5)20-15(21)18(6,7)22-14-10-8-13(19)9-11-14/h8-11H,12H2,1-7H3,(H,20,21)
InChIKeyYMLQJEUGWCPZLG-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 94842469) is 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is YMLQJEUGWCPZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO2/c1-16(2,3)12-17(4,5)20-15(21)18(6,7)22-14-10-8-13(19)9-11-14/h8-11H,12H2,1-7H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 325.88 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 94842469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).