2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide

C12H16N2O3 — CID 18682976

IUPAC2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
SMILESCC(=O)C(Cc1ccc(O)cc1)NC(=O)CN
InChIInChI=1S/C12H16N2O3/c1-8(15)11(14-12(17)7-13)6-9-2-4-10(16)5-3-9/h2-5,11,16H,6-7,13H2,1H3,(H,14,17)
InChIKeyOZCPKYKXDXWRPZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.03
Rot. Bonds5

About 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide

2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide (PubChem CID 18682976) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
PubChem CID18682976
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
SMILESCC(=O)C(Cc1ccc(O)cc1)NC(=O)CN
InChIInChI=1S/C12H16N2O3/c1-8(15)11(14-12(17)7-13)6-9-2-4-10(16)5-3-9/h2-5,11,16H,6-7,13H2,1H3,(H,14,17)
InChIKeyOZCPKYKXDXWRPZ-UHFFFAOYSA-N
XLogP-0.03
TPSA92.42 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 ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 4667426
benzyl (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 91977223
(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 71379810
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 23422440
2-[[2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18220980
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
CID 19751610
N-[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 167132933
(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-[(1R)-1-hydroxyprop-2-enyl]propanamide
CID 146261685
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 18492200
2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid;butane;propane
CID 144964446
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]propanoic acid
CID 18491974

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide (CID 18682976) is 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide is CC(=O)C(Cc1ccc(O)cc1)NC(=O)CN.
What is the InChIKey of 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
The InChIKey is OZCPKYKXDXWRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)11(14-12(17)7-13)6-9-2-4-10(16)5-3-9/h2-5,11,16H,6-7,13H2,1H3,(H,14,17).
What are the key properties of 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide?
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide is sourced from PubChem (CID 18682976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).