N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid

C18H29NO4 — CID 178167416

IUPACN,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid
SMILESCCC(C)CCC(=O)O.CNC(=O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C11H15NO2.C7H14O2/c1-11(2,10(13)12-3)14-9-7-5-4-6-8-9;1-3-6(2)4-5-7(8)9/h4-8H,1-3H3,(H,12,13);6H,3-5H2,1-2H3,(H,8,9)
InChIKeyPOZCHAQGHGXMMG-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.49
Rot. Bonds7

About N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid

N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid (PubChem CID 178167416) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid.

Molecular Properties

Compound NameN,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid
PubChem CID178167416
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid
SMILESCCC(C)CCC(=O)O.CNC(=O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C11H15NO2.C7H14O2/c1-11(2,10(13)12-3)14-9-7-5-4-6-8-9;1-3-6(2)4-5-7(8)9/h4-8H,1-3H3,(H,12,13);6H,3-5H2,1-2H3,(H,8,9)
InChIKeyPOZCHAQGHGXMMG-UHFFFAOYSA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid?
The IUPAC name of N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid (CID 178167416) is N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid.
What is the SMILES notation for N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid?
The canonical SMILES for N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid is CCC(C)CCC(=O)O.CNC(=O)C(C)(C)Oc1ccccc1.
What is the InChIKey of N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid?
The InChIKey is POZCHAQGHGXMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C7H14O2/c1-11(2,10(13)12-3)14-9-7-5-4-6-8-9;1-3-6(2)4-5-7(8)9/h4-8H,1-3H3,(H,12,13);6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid?
N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid has a molecular weight of 323.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-phenoxypropanamide;4-methylhexanoic acid is sourced from PubChem (CID 178167416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).