(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide

C16H16N2O4 — CID 124504784

IUPAC(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H16N2O4/c19-15(13-4-2-1-3-5-13)16(20)17-11-10-12-6-8-14(9-7-12)18(21)22/h1-9,15,19H,10-11H2,(H,17,20)/t15-/m0/s1
InChIKeyYWGDTDSOHPHFAQ-HNNXBMFYSA-N
MW300.31 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide

(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide (PubChem CID 124504784) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
PubChem CID124504784
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
SMILESO=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H16N2O4/c19-15(13-4-2-1-3-5-13)16(20)17-11-10-12-6-8-14(9-7-12)18(21)22/h1-9,15,19H,10-11H2,(H,17,20)/t15-/m0/s1
InChIKeyYWGDTDSOHPHFAQ-HNNXBMFYSA-N
XLogP1.99
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide 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-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
CID 110900157
2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
CID 174361178
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
2-methyl-3-[2-(4-nitrophenyl)ethylamino]-3-oxopropanoic acid
CID 114898168
4-amino-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 64888177
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
propan-2-yl N-[2-(4-nitrophenyl)ethyl]carbamate
CID 139655382
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
3-methyl-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 62965783
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide (CID 124504784) is (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide is O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
The InChIKey is YWGDTDSOHPHFAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(13-4-2-1-3-5-13)16(20)17-11-10-12-6-8-14(9-7-12)18(21)22/h1-9,15,19H,10-11H2,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide has a molecular weight of 300.31 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 124504784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).