3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide

C16H18N2O3 — CID 81094945

IUPAC3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-15-8-11(7-12(17)9-15)16(19)18-13-5-4-6-14(10-13)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyFXOGWRGASYYWKR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.93
Rot. Bonds5

About 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide

3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide (PubChem CID 81094945) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide
PubChem CID81094945
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)Nc2cccc(OC)c2)c1
InChIInChI=1S/C16H18N2O3/c1-3-21-15-8-11(7-12(17)9-15)16(19)18-13-5-4-6-14(10-13)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyFXOGWRGASYYWKR-UHFFFAOYSA-N
XLogP2.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.93
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

3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
2-amino-N-(3-ethoxyphenyl)-6-methoxybenzamide
CID 81394304
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide
CID 81091759
3-amino-N-(3-bromo-2-methylphenyl)-5-ethoxybenzamide
CID 107623961
3,4,5-triethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1048188
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide (CID 81094945) is 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide is CCOc1cc(N)cc(C(=O)Nc2cccc(OC)c2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide?
The InChIKey is FXOGWRGASYYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-15-8-11(7-12(17)9-15)16(19)18-13-5-4-6-14(10-13)20-2/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide?
3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 81094945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).