5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid

C16H23NO3 — CID 62934041

IUPAC5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN(C(=O)CC(C)(C)CC(=O)O)c1ccccc1C
InChIInChI=1S/C16H23NO3/c1-5-17(13-9-7-6-8-12(13)2)14(18)10-16(3,4)11-15(19)20/h6-9H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyOQHHEDWTYDPEBE-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.24
Rot. Bonds6

About 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid

5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934041) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934041
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCN(C(=O)CC(C)(C)CC(=O)O)c1ccccc1C
InChIInChI=1S/C16H23NO3/c1-5-17(13-9-7-6-8-12(13)2)14(18)10-16(3,4)11-15(19)20/h6-9H,5,10-11H2,1-4H3,(H,19,20)
InChIKeyOQHHEDWTYDPEBE-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(N-ethyl-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934429
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
N-ethyl-N-(2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 3610846
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
3-(N-(2-tert-butylsulfanylacetyl)-2-methylanilino)propanoic acid
CID 60831636
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid (CID 62934041) is 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid is CCN(C(=O)CC(C)(C)CC(=O)O)c1ccccc1C.
What is the InChIKey of 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is OQHHEDWTYDPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-17(13-9-7-6-8-12(13)2)14(18)10-16(3,4)11-15(19)20/h6-9H,5,10-11H2,1-4H3,(H,19,20).
What are the key properties of 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid?
5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).