ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate

C16H23NO4 — CID 146168916

IUPACethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CCc1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C16H23NO4/c1-5-21-15(19)16(3,17-12(2)18)11-10-13-6-8-14(20-4)9-7-13/h6-9H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyRJIJENQMTGMMHR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds7

About ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate

ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate (PubChem CID 146168916) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate
PubChem CID146168916
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CCc1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C16H23NO4/c1-5-21-15(19)16(3,17-12(2)18)11-10-13-6-8-14(20-4)9-7-13/h6-9H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyRJIJENQMTGMMHR-UHFFFAOYSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
2-amino-2-methyl-4-phenylbutan-1-ol;ethyl 2-(methoxycarbonylamino)-2-methyl-4-phenylbutanoate
CID 70148190
diethyl 2-acetamido-2-[2-(4-sulfanylphenyl)ethyl]propanedioate
CID 10807990
2-(butan-2-ylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61024807
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanamide
CID 62541160
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
3-(aminomethyl)-5-(4-methoxyphenyl)-3-methylpentanoic acid
CID 66097459
diethyl 2-acetamido-2-[2-[4-(3-trimethylsilylpropoxy)phenyl]ethyl]propanedioate
CID 139768355
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61340673
ethyl 2,2-difluoro-3-(4-methoxyanilino)propanoate
CID 12981865
2-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-4-oxopentanoic acid;hydrate
CID 131886062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate?
The IUPAC name of ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate (CID 146168916) is ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate?
The canonical SMILES for ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate is CCOC(=O)C(C)(CCc1ccc(OC)cc1)NC(C)=O.
What is the InChIKey of ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate?
The InChIKey is RJIJENQMTGMMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-21-15(19)16(3,17-12(2)18)11-10-13-6-8-14(20-4)9-7-13/h6-9H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate?
ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate has a molecular weight of 293.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-4-(4-methoxyphenyl)-2-methylbutanoate is sourced from PubChem (CID 146168916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).