N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide

C23H22N2O5 — CID 2939314

IUPACN-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O5/c1-29-19-11-8-17(9-12-19)20(16-6-4-3-5-7-16)15-23(26)24-21-14-18(25(27)28)10-13-22(21)30-2/h3-14,20H,15H2,1-2H3,(H,24,26)
InChIKeyDUGBJYYJNCDOQE-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.77
Rot. Bonds8

About N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide

N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 2939314) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID2939314
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O5/c1-29-19-11-8-17(9-12-19)20(16-6-4-3-5-7-16)15-23(26)24-21-14-18(25(27)28)10-13-22(21)30-2/h3-14,20H,15H2,1-2H3,(H,24,26)
InChIKeyDUGBJYYJNCDOQE-UHFFFAOYSA-N
XLogP4.77
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide (CID 2939314) is N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(C(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is DUGBJYYJNCDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-29-19-11-8-17(9-12-19)20(16-6-4-3-5-7-16)15-23(26)24-21-14-18(25(27)28)10-13-22(21)30-2/h3-14,20H,15H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide?
N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 406.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2939314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).