5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid

C14H19NO4 — CID 3345535

IUPAC5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCOc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,9-13(17)18)8-12(16)15-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYFZMSFCXZKTLGQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.52
Rot. Bonds6

About 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid

5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 3345535) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID3345535
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCOc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,9-13(17)18)8-12(16)15-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyYFZMSFCXZKTLGQ-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 2732371
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-methylbutanamide
CID 14697705
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27155299
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 118953222
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfinylacetic acid
CID 854402
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid (CID 3345535) is 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid is COc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is YFZMSFCXZKTLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,9-13(17)18)8-12(16)15-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid?
5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 3345535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).