2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide

C16H18N2O3 — CID 107733285

IUPAC2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
SMILESCCN(C(=O)c1cc(OC)ccc1N)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-3-18(11-5-4-6-12(19)9-11)16(20)14-10-13(21-2)7-8-15(14)17/h4-10,19H,3,17H2,1-2H3
InChIKeyLIQXJNWBTGVQRH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds4

About 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide

2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide (PubChem CID 107733285) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
PubChem CID107733285
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide
SMILESCCN(C(=O)c1cc(OC)ccc1N)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-3-18(11-5-4-6-12(19)9-11)16(20)14-10-13(21-2)7-8-15(14)17/h4-10,19H,3,17H2,1-2H3
InChIKeyLIQXJNWBTGVQRH-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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Related Compounds

2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
CID 115412453
N-ethyl-N-(3-hydroxyphenyl)-2-methoxypyridine-3-carboxamide
CID 107736232
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
2,5-dichloro-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107736182
N-ethyl-N-(3-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 107736404
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide (CID 107733285) is 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide is CCN(C(=O)c1cc(OC)ccc1N)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide?
The InChIKey is LIQXJNWBTGVQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-18(11-5-4-6-12(19)9-11)16(20)14-10-13(21-2)7-8-15(14)17/h4-10,19H,3,17H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide?
2-amino-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide 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-N-ethyl-N-(3-hydroxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 107733285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).