N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide

C17H16N2O4 — CID 171131661

IUPACN-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(C=C[N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O4/c1-13-4-2-3-5-16(13)18-17(20)12-23-15-8-6-14(7-9-15)10-11-19(21)22/h2-11H,12H2,1H3,(H,18,20)
InChIKeyNHIAUNZLVGUYNE-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.26
Rot. Bonds6

About N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide

N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide (PubChem CID 171131661) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide
PubChem CID171131661
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(C=C[N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O4/c1-13-4-2-3-5-16(13)18-17(20)12-23-15-8-6-14(7-9-15)10-11-19(21)22/h2-11H,12H2,1H3,(H,18,20)
InChIKeyNHIAUNZLVGUYNE-UHFFFAOYSA-N
XLogP3.26
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.26
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'}

Analyze N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide 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

N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-[4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126344795
2-[4-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28561557
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
2-[4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126013868
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylphenyl)acetamide
CID 30156679
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
N,N-diethyl-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 18837658
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269997
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880
2-[4-(4-methylphenyl)phenoxy]-N-(2-nitrophenyl)acetamide
CID 2789918

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide (CID 171131661) is N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide is Cc1ccccc1NC(=O)COc1ccc(C=C[N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide?
The InChIKey is NHIAUNZLVGUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-13-4-2-3-5-16(13)18-17(20)12-23-15-8-6-14(7-9-15)10-11-19(21)22/h2-11H,12H2,1H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide?
N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide has a molecular weight of 312.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(2-nitroethenyl)phenoxy]acetamide is sourced from PubChem (CID 171131661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).