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

C17H18N2O5 — CID 896865

IUPACN-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H18N2O5/c1-23-14-7-3-12(4-8-14)5-10-17(20)18-15-11-13(19(21)22)6-9-16(15)24-2/h3-4,6-9,11H,5,10H2,1-2H3,(H,18,20)
InChIKeyLATJTIIZXZSZCQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.18
Rot. Bonds7

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

N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 896865) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID896865
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C17H18N2O5/c1-23-14-7-3-12(4-8-14)5-10-17(20)18-15-11-13(19(21)22)6-9-16(15)24-2/h3-4,6-9,11H,5,10H2,1-2H3,(H,18,20)
InChIKeyLATJTIIZXZSZCQ-UHFFFAOYSA-N
XLogP3.18
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.18
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)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide (CID 896865) is N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is LATJTIIZXZSZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-14-7-3-12(4-8-14)5-10-17(20)18-15-11-13(19(21)22)6-9-16(15)24-2/h3-4,6-9,11H,5,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide?
N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 3.18, 7 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)propanamide is sourced from PubChem (CID 896865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).