2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide

C17H20N2O2 — CID 81394137

IUPAC2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C17H20N2O2/c1-11-7-4-5-8-13(11)12(2)19-17(20)16-14(18)9-6-10-15(16)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)
InChIKeyPOKCYSVKEUVULY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds4

About 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide

2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 81394137) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID81394137
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C17H20N2O2/c1-11-7-4-5-8-13(11)12(2)19-17(20)16-14(18)9-6-10-15(16)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)
InChIKeyPOKCYSVKEUVULY-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
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-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide (CID 81394137) is 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide is COc1cccc(N)c1C(=O)NC(C)c1ccccc1C.
What is the InChIKey of 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is POKCYSVKEUVULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-4-5-8-13(11)12(2)19-17(20)16-14(18)9-6-10-15(16)21-3/h4-10,12H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide?
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 81394137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).