3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide

C16H18N2O2 — CID 60873375

IUPAC3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)17)16(19)18-10-12-4-3-5-14(8-12)20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyYNDYOOGAXFDTTI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide

3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide (PubChem CID 60873375) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
PubChem CID60873375
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)17)16(19)18-10-12-4-3-5-14(8-12)20-2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyYNDYOOGAXFDTTI-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-amino-3-carbamimidoyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 89175244
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide (CID 60873375) is 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide is COc1cccc(CNC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is YNDYOOGAXFDTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-7-13(9-15(11)17)16(19)18-10-12-4-3-5-14(8-12)20-2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide?
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 60873375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).