3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide

C16H19N3O2 — CID 61420166

IUPAC3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
SMILESCOc1cccc(CN(C)c2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C16H19N3O2/c1-19(10-11-4-3-5-13(8-11)21-2)15-7-6-12(16(18)20)9-14(15)17/h3-9H,10,17H2,1-2H3,(H2,18,20)
InChIKeyGAEUZUTVOZSYGV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide

3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide (PubChem CID 61420166) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
PubChem CID61420166
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
SMILESCOc1cccc(CN(C)c2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C16H19N3O2/c1-19(10-11-4-3-5-13(8-11)21-2)15-7-6-12(16(18)20)9-14(15)17/h3-9H,10,17H2,1-2H3,(H2,18,20)
InChIKeyGAEUZUTVOZSYGV-UHFFFAOYSA-N
XLogP2.01
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
3-amino-4-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 61115963
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
3-[(3-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369981
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 144888017
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide?
The IUPAC name of 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide (CID 61420166) is 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide is COc1cccc(CN(C)c2ccc(C(N)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide?
The InChIKey is GAEUZUTVOZSYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(10-11-4-3-5-13(8-11)21-2)15-7-6-12(16(18)20)9-14(15)17/h3-9H,10,17H2,1-2H3,(H2,18,20).
What are the key properties of 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide?
3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 61420166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).