2-[(2,4-dimethoxyanilino)methyl]benzamide

C16H18N2O3 — CID 28570532

IUPAC2-[(2,4-dimethoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccccc2C(N)=O)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-12-7-8-14(15(9-12)21-2)18-10-11-5-3-4-6-13(11)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyIXHWSUZAOZDSPU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds6

About 2-[(2,4-dimethoxyanilino)methyl]benzamide

2-[(2,4-dimethoxyanilino)methyl]benzamide (PubChem CID 28570532) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyanilino)methyl]benzamide
PubChem CID28570532
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(2,4-dimethoxyanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccccc2C(N)=O)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-12-7-8-14(15(9-12)21-2)18-10-11-5-3-4-6-13(11)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyIXHWSUZAOZDSPU-UHFFFAOYSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
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

N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
[2-[(2,4-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43743131
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyanilino)methyl]benzamide?
The IUPAC name of 2-[(2,4-dimethoxyanilino)methyl]benzamide (CID 28570532) is 2-[(2,4-dimethoxyanilino)methyl]benzamide.
What is the SMILES notation for 2-[(2,4-dimethoxyanilino)methyl]benzamide?
The canonical SMILES for 2-[(2,4-dimethoxyanilino)methyl]benzamide is COc1ccc(NCc2ccccc2C(N)=O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyanilino)methyl]benzamide?
The InChIKey is IXHWSUZAOZDSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-12-7-8-14(15(9-12)21-2)18-10-11-5-3-4-6-13(11)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19).
What are the key properties of 2-[(2,4-dimethoxyanilino)methyl]benzamide?
2-[(2,4-dimethoxyanilino)methyl]benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyanilino)methyl]benzamide is sourced from PubChem (CID 28570532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).