2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide

C20H23N3O4 — CID 53315581

IUPAC2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(N)C(=O)c1ccccc1
InChIInChI=1S/C20H23N3O4/c1-13(24)23-18(11-14-7-9-16(25)10-8-14)20(27)22-12-17(21)19(26)15-5-3-2-4-6-15/h2-10,17-18,25H,11-12,21H2,1H3,(H,22,27)(H,23,24)
InChIKeySVFXGCVMKPPMGU-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.77
Rot. Bonds8

About 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide

2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 53315581) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID53315581
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(N)C(=O)c1ccccc1
InChIInChI=1S/C20H23N3O4/c1-13(24)23-18(11-14-7-9-16(25)10-8-14)20(27)22-12-17(21)19(26)15-5-3-2-4-6-15/h2-10,17-18,25H,11-12,21H2,1H3,(H,22,27)(H,23,24)
InChIKeySVFXGCVMKPPMGU-UHFFFAOYSA-N
XLogP0.77
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 87927995
2-acetamido-N-but-2-ynyl-3-(4-hydroxyphenyl)propanamide
CID 126831870
2-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanamide
CID 70938229
(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[[(2R,3R)-4-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-2,3-dihydroxybutyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 10056823
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 174670536
(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
CID 102031408
(2S)-3-[4-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]-2-aminopropanoic acid
CID 118235883
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 71695731
(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 102142469
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18223402
2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 71352371
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide (CID 53315581) is 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide is CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(N)C(=O)c1ccccc1.
What is the InChIKey of 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is SVFXGCVMKPPMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(24)23-18(11-14-7-9-16(25)10-8-14)20(27)22-12-17(21)19(26)15-5-3-2-4-6-15/h2-10,17-18,25H,11-12,21H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide?
2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 369.42 g/mol, XLogP of 0.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-amino-3-oxo-3-phenylpropyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 53315581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).