5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid

C15H20ClNO4 — CID 129040731

IUPAC5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
SMILESCCC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H20ClNO4/c1-4-15(2,9-14(19)20)8-13(18)17-11-7-10(16)5-6-12(11)21-3/h5-7H,4,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyZDQAMQAGBCVZPJ-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.57
Rot. Bonds7

About 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid

5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid (PubChem CID 129040731) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
PubChem CID129040731
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid
SMILESCCC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H20ClNO4/c1-4-15(2,9-14(19)20)8-13(18)17-11-7-10(16)5-6-12(11)21-3/h5-7H,4,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyZDQAMQAGBCVZPJ-UHFFFAOYSA-N
XLogP3.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
methyl 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2-methylbutanoate
CID 56792966
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid (CID 129040731) is 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid is CCC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid?
The InChIKey is ZDQAMQAGBCVZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-4-15(2,9-14(19)20)8-13(18)17-11-7-10(16)5-6-12(11)21-3/h5-7H,4,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid?
5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid has a molecular weight of 313.78 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-3-ethyl-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 129040731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).