2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

C20H25N3O4 — CID 11303245

IUPAC2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
SMILESCC(=O)NC(CN(O)Cc1ccccc1)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H25N3O4/c1-15(24)22-19(14-23(27)13-17-5-3-2-4-6-17)20(26)21-12-11-16-7-9-18(25)10-8-16/h2-10,19,25,27H,11-14H2,1H3,(H,21,26)(H,22,24)
InChIKeyVGWJBZHGSRZRDP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.45
Rot. Bonds9

About 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide (PubChem CID 11303245) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
PubChem CID11303245
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
SMILESCC(=O)NC(CN(O)Cc1ccccc1)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C20H25N3O4/c1-15(24)22-19(14-23(27)13-17-5-3-2-4-6-17)20(26)21-12-11-16-7-9-18(25)10-8-16/h2-10,19,25,27H,11-14H2,1H3,(H,21,26)(H,22,24)
InChIKeyVGWJBZHGSRZRDP-UHFFFAOYSA-N
XLogP1.45
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
CID 167860964
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
2-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanamide
CID 70938229
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
(2S)-2-acetamido-3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 11823586
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
2-acetamido-N-(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 87927995
(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
CID 102031408

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The IUPAC name of 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide (CID 11303245) is 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide is CC(=O)NC(CN(O)Cc1ccccc1)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The InChIKey is VGWJBZHGSRZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15(24)22-19(14-23(27)13-17-5-3-2-4-6-17)20(26)21-12-11-16-7-9-18(25)10-8-16/h2-10,19,25,27H,11-14H2,1H3,(H,21,26)(H,22,24).
What are the key properties of 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide has a molecular weight of 371.44 g/mol, XLogP of 1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[benzyl(hydroxy)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide is sourced from PubChem (CID 11303245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).