N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide

C16H16N2O4 — CID 38770498

IUPACN-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
SMILESCc1ccccc1NC(=O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-12-4-2-3-5-15(12)17-16(19)10-11-22-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyLRELQTDXKVAMMK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.31
Rot. Bonds6

About N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide

N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide (PubChem CID 38770498) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
PubChem CID38770498
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
SMILESCc1ccccc1NC(=O)CCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-12-4-2-3-5-15(12)17-16(19)10-11-22-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyLRELQTDXKVAMMK-UHFFFAOYSA-N
XLogP3.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.31
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

N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
3-(4-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 108802892
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-hydroxy-4-nitrophenyl)-3-phenoxypropanamide
CID 108807000
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
N-(3-chloro-4-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38763807
N-(2-chloro-4-nitrophenyl)-3-phenoxypropanamide
CID 108795459
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N-(2-methylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549591
N-(2-ethoxy-4-fluorophenyl)-3-(4-nitrophenoxy)propanamide
CID 78892551

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide (CID 38770498) is N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide is Cc1ccccc1NC(=O)CCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide?
The InChIKey is LRELQTDXKVAMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-12-4-2-3-5-15(12)17-16(19)10-11-22-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide?
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide has a molecular weight of 300.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 38770498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).