3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide

C12H16N2O3 — CID 175539195

IUPAC3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide
SMILESCCc1cccc(O)c1C(=O)C(N)CC(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-7-4-3-5-9(15)11(7)12(17)8(13)6-10(14)16/h3-5,8,15H,2,6,13H2,1H3,(H2,14,16)
InChIKeyLSEWRHGOPLMKJW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.34
Rot. Bonds5

About 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide

3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide (PubChem CID 175539195) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide
PubChem CID175539195
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide
SMILESCCc1cccc(O)c1C(=O)C(N)CC(N)=O
InChIInChI=1S/C12H16N2O3/c1-2-7-4-3-5-9(15)11(7)12(17)8(13)6-10(14)16/h3-5,8,15H,2,6,13H2,1H3,(H2,14,16)
InChIKeyLSEWRHGOPLMKJW-UHFFFAOYSA-N
XLogP0.34
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanoic acid
CID 174345844
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 164952151
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
1-(2,6-diethylphenyl)ethanone
CID 14939611
2-ethylphenol;formaldehyde;urea
CID 162140280
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
2-[2-(2-bromopropanoyl)-3-hydroxyphenyl]acetic acid
CID 170837899
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]butanediamide
CID 131861350

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide?
The IUPAC name of 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide (CID 175539195) is 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide?
The canonical SMILES for 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide is CCc1cccc(O)c1C(=O)C(N)CC(N)=O.
What is the InChIKey of 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide?
The InChIKey is LSEWRHGOPLMKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-7-4-3-5-9(15)11(7)12(17)8(13)6-10(14)16/h3-5,8,15H,2,6,13H2,1H3,(H2,14,16).
What are the key properties of 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide?
3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide has a molecular weight of 236.27 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-ethyl-6-hydroxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 175539195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).