N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide

C16H18N2O3 — CID 79737146

IUPACN-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(O)c1)c1ccccc1N
InChIInChI=1S/C16H18N2O3/c1-3-18(13-7-5-4-6-12(13)17)16(20)11-8-9-15(21-2)14(19)10-11/h4-10,19H,3,17H2,1-2H3
InChIKeyMWGAQDIBOQPIBV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide

N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide (PubChem CID 79737146) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide
PubChem CID79737146
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(O)c1)c1ccccc1N
InChIInChI=1S/C16H18N2O3/c1-3-18(13-7-5-4-6-12(13)17)16(20)11-8-9-15(21-2)14(19)10-11/h4-10,19H,3,17H2,1-2H3
InChIKeyMWGAQDIBOQPIBV-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

N-(2-aminophenyl)-N-ethyl-4-methoxybenzamide
CID 62101473
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
N-(2-aminophenyl)-N-ethyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732876
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
N-(2-aminophenyl)-N-ethyl-2-methoxyacetamide
CID 62100815
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
N-(3,4-dimethoxyphenyl)-N-ethyl-4-hydroxybenzamide
CID 142915133
3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
N-ethyl-N-(2-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627922

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide (CID 79737146) is N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide is CCN(C(=O)c1ccc(OC)c(O)c1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide?
The InChIKey is MWGAQDIBOQPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-18(13-7-5-4-6-12(13)17)16(20)11-8-9-15(21-2)14(19)10-11/h4-10,19H,3,17H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide?
N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-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 N-(2-aminophenyl)-N-ethyl-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79737146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).