2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide

C24H26N2O4 — CID 55857881

IUPAC2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
SMILESCOCCOc1cccc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)c1
InChIInChI=1S/C24H26N2O4/c1-28-14-15-30-21-7-5-6-18(16-21)17-25-24(27)22-8-3-4-9-23(22)26-19-10-12-20(29-2)13-11-19/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27)
InChIKeyLXVGIUDVMYVMRO-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.39
Rot. Bonds10

About 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide

2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide (PubChem CID 55857881) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
PubChem CID55857881
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
SMILESCOCCOc1cccc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)c1
InChIInChI=1S/C24H26N2O4/c1-28-14-15-30-21-7-5-6-18(16-21)17-25-24(27)22-8-3-4-9-23(22)26-19-10-12-20(29-2)13-11-19/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27)
InChIKeyLXVGIUDVMYVMRO-UHFFFAOYSA-N
XLogP4.39
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
2-(4-methoxyanilino)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55844320
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686
N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 17464042
2-(4-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55720016
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide (CID 55857881) is 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide is COCCOc1cccc(CNC(=O)c2ccccc2Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
The InChIKey is LXVGIUDVMYVMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-14-15-30-21-7-5-6-18(16-21)17-25-24(27)22-8-3-4-9-23(22)26-19-10-12-20(29-2)13-11-19/h3-13,16,26H,14-15,17H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide?
2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55857881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).