2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide

C16H19N3O2 — CID 106262491

IUPAC2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
SMILESCOc1ccccc1CCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C16H19N3O2/c1-21-15-5-3-2-4-11(15)8-9-19-12-6-7-14(17)13(10-12)16(18)20/h2-7,10,19H,8-9,17H2,1H3,(H2,18,20)
InChIKeyVMWMGEAIGLWCLD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide

2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide (PubChem CID 106262491) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
PubChem CID106262491
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
SMILESCOc1ccccc1CCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C16H19N3O2/c1-21-15-5-3-2-4-11(15)8-9-19-12-6-7-14(17)13(10-12)16(18)20/h2-7,10,19H,8-9,17H2,1H3,(H2,18,20)
InChIKeyVMWMGEAIGLWCLD-UHFFFAOYSA-N
XLogP2.03
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-hydroxy-5-[2-(2-methoxyphenyl)ethylamino]benzoate
CID 142689383
sodium 2-hydroxy-5-[2-(2-methoxyphenyl)ethylamino]benzoate
CID 142689374
3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophene-2-carboxamide
CID 106262787
4-[2-(2-methoxyphenyl)ethylamino]benzenecarbothioamide
CID 106261364
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
N-[2-(2-methoxyphenyl)ethyl]naphthalen-2-amine
CID 106261920
2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
CID 114098605
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide?
The IUPAC name of 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide (CID 106262491) is 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide.
What is the SMILES notation for 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide?
The canonical SMILES for 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide is COc1ccccc1CCNc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide?
The InChIKey is VMWMGEAIGLWCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-15-5-3-2-4-11(15)8-9-19-12-6-7-14(17)13(10-12)16(18)20/h2-7,10,19H,8-9,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide?
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide is sourced from PubChem (CID 106262491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).