5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid

C18H26N2O5 — CID 119148530

IUPAC5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C18H26N2O5/c1-6-25-14-8-7-12(17(24)20(4)5)9-13(14)19-15(21)10-18(2,3)11-16(22)23/h7-9H,6,10-11H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyAIJLPRMEXDJZDO-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.62
Rot. Bonds8

About 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid

5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 119148530) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID119148530
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C18H26N2O5/c1-6-25-14-8-7-12(17(24)20(4)5)9-13(14)19-15(21)10-18(2,3)11-16(22)23/h7-9H,6,10-11H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyAIJLPRMEXDJZDO-UHFFFAOYSA-N
XLogP2.62
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethoxy-4-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47062060
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119816573
4-[3-[4-(dimethylcarbamoyl)-2-ethoxyanilino]-3-oxopropyl]benzoic acid
CID 120551346
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
5-[5-fluoro-2-(2-methoxyethoxy)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119109702
5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
CID 120638221
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27155299
4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
CID 166323346
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
5-[4-(dimethylcarbamoyl)-3-methylanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137875
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487

Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid (CID 119148530) is 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid is CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is AIJLPRMEXDJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-6-25-14-8-7-12(17(24)20(4)5)9-13(14)19-15(21)10-18(2,3)11-16(22)23/h7-9H,6,10-11H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid?
5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 350.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 119148530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).