3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide

C16H18N2O3 — CID 82992637

IUPAC3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
SMILESCCOc1cccc(Oc2ccc(C(=O)NC)cc2N)c1
InChIInChI=1S/C16H18N2O3/c1-3-20-12-5-4-6-13(10-12)21-15-8-7-11(9-14(15)17)16(19)18-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyFCQUNLFRDQOUFV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.82
Rot. Bonds5

About 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide

3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide (PubChem CID 82992637) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
PubChem CID82992637
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
SMILESCCOc1cccc(Oc2ccc(C(=O)NC)cc2N)c1
InChIInChI=1S/C16H18N2O3/c1-3-20-12-5-4-6-13(10-12)21-15-8-7-11(9-14(15)17)16(19)18-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyFCQUNLFRDQOUFV-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(3-cyanophenoxy)-N-methylbenzamide
CID 78984165
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
3-amino-4-(4-ethoxyphenoxy)benzamide
CID 43448507
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide (CID 82992637) is 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide is CCOc1cccc(Oc2ccc(C(=O)NC)cc2N)c1.
What is the InChIKey of 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide?
The InChIKey is FCQUNLFRDQOUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-20-12-5-4-6-13(10-12)21-15-8-7-11(9-14(15)17)16(19)18-2/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide?
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide is sourced from PubChem (CID 82992637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).