2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide

C17H18N2O4 — CID 30728355

IUPAC2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4/c1-2-11-23-16-6-4-3-5-15(16)18-17(20)12-13-7-9-14(10-8-13)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyGKZKUQAAJNTDPV-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide

2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide (PubChem CID 30728355) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
PubChem CID30728355
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O4/c1-2-11-23-16-6-4-3-5-15(16)18-17(20)12-13-7-9-14(10-8-13)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyGKZKUQAAJNTDPV-UHFFFAOYSA-N
XLogP3.56
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
2-(3-aminophenyl)-N-(2-propoxyphenyl)acetamide
CID 65350525
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
N-[2-(2-ethoxyethoxy)phenyl]-2-phenylacetamide
CID 17134061
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide (CID 30728355) is 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide?
The InChIKey is GKZKUQAAJNTDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-11-23-16-6-4-3-5-15(16)18-17(20)12-13-7-9-14(10-8-13)19(21)22/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide?
2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 30728355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).