4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C28H25N3O5 — CID 135187505

IUPAC4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCc3cccc([N+](=O)[O-])c3)c2)cc1
InChIInChI=1S/C28H25N3O5/c1-35-26-10-8-24(9-11-26)28(32)30(18-21-12-14-29-15-13-21)19-22-4-3-7-27(17-22)36-20-23-5-2-6-25(16-23)31(33)34/h2-17H,18-20H2,1H3
InChIKeyCTIDVDPLXAFVRC-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.42
Rot. Bonds10

About 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide

4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 135187505) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID135187505
Molecular FormulaC28H25N3O5
Molecular Weight483.52 g/mol
Exact Mass483.18
IUPAC Name4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCc3cccc([N+](=O)[O-])c3)c2)cc1
InChIInChI=1S/C28H25N3O5/c1-35-26-10-8-24(9-11-26)28(32)30(18-21-12-14-29-15-13-21)19-22-4-3-7-27(17-22)36-20-23-5-2-6-25(16-23)31(33)34/h2-17H,18-20H2,1H3
InChIKeyCTIDVDPLXAFVRC-UHFFFAOYSA-N
XLogP5.42
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 135187505) is 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCc3cccc([N+](=O)[O-])c3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is CTIDVDPLXAFVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-35-26-10-8-24(9-11-26)28(32)30(18-21-12-14-29-15-13-21)19-22-4-3-7-27(17-22)36-20-23-5-2-6-25(16-23)31(33)34/h2-17H,18-20H2,1H3.
What are the key properties of 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 483.52 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[3-[(3-nitrophenyl)methoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 135187505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).