4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide

C23H24N2O3 — CID 12031517

IUPAC4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
SMILESCOc1ccc(CN(Cc2ccc(C(N)=O)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-21-11-5-18(6-12-21)16-25(20-9-13-22(28-2)14-10-20)15-17-3-7-19(8-4-17)23(24)26/h3-14H,15-16H2,1-2H3,(H2,24,26)
InChIKeyXVUAZMCFKPUQNS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.01
Rot. Bonds8

About 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide

4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide (PubChem CID 12031517) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
PubChem CID12031517
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
SMILESCOc1ccc(CN(Cc2ccc(C(N)=O)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-21-11-5-18(6-12-21)16-25(20-9-13-22(28-2)14-10-20)15-17-3-7-19(8-4-17)23(24)26/h3-14H,15-16H2,1-2H3,(H2,24,26)
InChIKeyXVUAZMCFKPUQNS-UHFFFAOYSA-N
XLogP4.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 87467946
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
4-[[carbamoyl-[(4-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 67078697
4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
CID 11371049
4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
3-[benzyl-[(4-methoxyphenyl)methyl]amino]benzoic acid
CID 11725248
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide?
The IUPAC name of 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide (CID 12031517) is 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide.
What is the SMILES notation for 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide?
The canonical SMILES for 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide is COc1ccc(CN(Cc2ccc(C(N)=O)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide?
The InChIKey is XVUAZMCFKPUQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-11-5-18(6-12-21)16-25(20-9-13-22(28-2)14-10-20)15-17-3-7-19(8-4-17)23(24)26/h3-14H,15-16H2,1-2H3,(H2,24,26).
What are the key properties of 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide?
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide is sourced from PubChem (CID 12031517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).