2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide

C17H20N2O2 — CID 79756137

IUPAC2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(N)c(C(=O)NCCc2ccccc2C)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-4-6-13(12)9-10-19-17(20)15-11-14(21-2)7-8-16(15)18/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyWOUZZLAJZZOGKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.56
Rot. Bonds5

About 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide

2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 79756137) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID79756137
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(N)c(C(=O)NCCc2ccccc2C)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-4-6-13(12)9-10-19-17(20)15-11-14(21-2)7-8-16(15)18/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyWOUZZLAJZZOGKF-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.56
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

2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
1-(4-methoxyphenyl)-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 91528734
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide (CID 79756137) is 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide is COc1ccc(N)c(C(=O)NCCc2ccccc2C)c1.
What is the InChIKey of 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is WOUZZLAJZZOGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-4-6-13(12)9-10-19-17(20)15-11-14(21-2)7-8-16(15)18/h3-8,11H,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 79756137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).