N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide

C22H20N2O4 — CID 1362633

IUPACN-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-28-21-13-12-18(24(26)27)14-20(21)23-22(25)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,23,25)
InChIKeyZZNWVXVHULEUDE-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.76
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide

N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide (PubChem CID 1362633) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide
PubChem CID1362633
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-28-21-13-12-18(24(26)27)14-20(21)23-22(25)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,23,25)
InChIKeyZZNWVXVHULEUDE-UHFFFAOYSA-N
XLogP4.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.76
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide (CID 1362633) is N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide?
The InChIKey is ZZNWVXVHULEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-28-21-13-12-18(24(26)27)14-20(21)23-22(25)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,23,25).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide?
N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide has a molecular weight of 376.41 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 1362633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).