N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide

C17H18N2O4 — CID 17142403

IUPACN-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
SMILESCc1c(NC(=O)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-11(2)23-14-7-4-6-13(10-14)17(20)18-15-8-5-9-16(12(15)3)19(21)22/h4-11H,1-3H3,(H,18,20)
InChIKeyIYTYATLARHJGDK-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.94
Rot. Bonds5

About N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide

N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide (PubChem CID 17142403) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
PubChem CID17142403
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
SMILESCc1c(NC(=O)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-11(2)23-14-7-4-6-13(10-14)17(20)18-15-8-5-9-16(12(15)3)19(21)22/h4-11H,1-3H3,(H,18,20)
InChIKeyIYTYATLARHJGDK-UHFFFAOYSA-N
XLogP3.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.94
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-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide 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

3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240
4-(3-methylbutoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 4948152
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide (CID 17142403) is N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide is Cc1c(NC(=O)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide?
The InChIKey is IYTYATLARHJGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11(2)23-14-7-4-6-13(10-14)17(20)18-15-8-5-9-16(12(15)3)19(21)22/h4-11H,1-3H3,(H,18,20).
What are the key properties of N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide?
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17142403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).