2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide

C16H17N3O3 — CID 174361178

IUPAC2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
SMILESNC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H17N3O3/c17-15(13-4-2-1-3-5-13)16(20)18-11-10-12-6-8-14(9-7-12)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)
InChIKeyYRORELWTUPQAJT-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.95
Rot. Bonds6

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

2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide (PubChem CID 174361178) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
PubChem CID174361178
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
SMILESNC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C16H17N3O3/c17-15(13-4-2-1-3-5-13)16(20)18-11-10-12-6-8-14(9-7-12)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)
InChIKeyYRORELWTUPQAJT-UHFFFAOYSA-N
XLogP1.95
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.95
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'}

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Related Compounds

(2S)-2-hydroxy-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
CID 124504784
2-methyl-3-[2-(4-nitrophenyl)ethylamino]-3-oxopropanoic acid
CID 114898168
4-amino-5-[2-(4-nitrophenyl)ethylamino]-5-oxopentanoic acid
CID 64888177
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
3-amino-2-methyl-N-[4-(4-nitrophenyl)butyl]butanamide
CID 120500594
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
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-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
CID 110900157

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide (CID 174361178) is 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide is NC(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
The InChIKey is YRORELWTUPQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c17-15(13-4-2-1-3-5-13)16(20)18-11-10-12-6-8-14(9-7-12)19(21)22/h1-9,15H,10-11,17H2,(H,18,20).
What are the key properties of 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide?
2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide has a molecular weight of 299.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 174361178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).