3-[(2,4-dimethoxyphenyl)methylamino]benzamide

C16H18N2O3 — CID 28650467

IUPAC3-[(2,4-dimethoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2cccc(C(N)=O)c2)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-14-7-6-12(15(9-14)21-2)10-18-13-5-3-4-11(8-13)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyYSYCMNQNBXHLRQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds6

About 3-[(2,4-dimethoxyphenyl)methylamino]benzamide

3-[(2,4-dimethoxyphenyl)methylamino]benzamide (PubChem CID 28650467) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methylamino]benzamide
PubChem CID28650467
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[(2,4-dimethoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2cccc(C(N)=O)c2)c(OC)c1
InChIInChI=1S/C16H18N2O3/c1-20-14-7-6-12(15(9-14)21-2)10-18-13-5-3-4-11(8-13)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19)
InChIKeyYSYCMNQNBXHLRQ-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

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Related Compounds

3-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,3-diamine
CID 63363029
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxyaniline
CID 39427091
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
3-[(4-cyano-3-methoxyphenyl)methylamino]benzamide
CID 107811270
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methylamino]benzamide?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methylamino]benzamide (CID 28650467) is 3-[(2,4-dimethoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methylamino]benzamide?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methylamino]benzamide is COc1ccc(CNc2cccc(C(N)=O)c2)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methylamino]benzamide?
The InChIKey is YSYCMNQNBXHLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-7-6-12(15(9-14)21-2)10-18-13-5-3-4-11(8-13)16(17)19/h3-9,18H,10H2,1-2H3,(H2,17,19).
What are the key properties of 3-[(2,4-dimethoxyphenyl)methylamino]benzamide?
3-[(2,4-dimethoxyphenyl)methylamino]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 3-[(2,4-dimethoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 28650467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).