2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide

C16H18N2O3 — CID 107733158

IUPAC2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCCOc1cccc(N)c1C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-14-9-5-8-13(17)15(14)16(20)18(2)11-6-4-7-12(19)10-11/h4-10,19H,3,17H2,1-2H3
InChIKeySIDGUYKWCOKWKH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds4

About 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide

2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide (PubChem CID 107733158) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
PubChem CID107733158
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
SMILESCCOc1cccc(N)c1C(=O)N(C)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-14-9-5-8-13(17)15(14)16(20)18(2)11-6-4-7-12(19)10-11/h4-10,19H,3,17H2,1-2H3
InChIKeySIDGUYKWCOKWKH-UHFFFAOYSA-N
XLogP2.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide (CID 107733158) is 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide is CCOc1cccc(N)c1C(=O)N(C)c1cccc(O)c1.
What is the InChIKey of 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is SIDGUYKWCOKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-14-9-5-8-13(17)15(14)16(20)18(2)11-6-4-7-12(19)10-11/h4-10,19H,3,17H2,1-2H3.
What are the key properties of 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide?
2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107733158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).