3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide

C17H20N2O3 — CID 82070425

IUPAC3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
SMILESCNC(=O)c1ccc(OCCOc2cccc(C)c2)c(N)c1
InChIInChI=1S/C17H20N2O3/c1-12-4-3-5-14(10-12)21-8-9-22-16-7-6-13(11-15(16)18)17(20)19-2/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyJGTNLLNNGSJGKV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds6

About 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide

3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide (PubChem CID 82070425) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
PubChem CID82070425
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
SMILESCNC(=O)c1ccc(OCCOc2cccc(C)c2)c(N)c1
InChIInChI=1S/C17H20N2O3/c1-12-4-3-5-14(10-12)21-8-9-22-16-7-6-13(11-15(16)18)17(20)19-2/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyJGTNLLNNGSJGKV-UHFFFAOYSA-N
XLogP2.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-4-(3,3-dimethylbutoxy)-N-methylbenzamide
CID 82999878
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
CID 91322801
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
CID 83000096

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide (CID 82070425) is 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide is CNC(=O)c1ccc(OCCOc2cccc(C)c2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide?
The InChIKey is JGTNLLNNGSJGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-4-3-5-14(10-12)21-8-9-22-16-7-6-13(11-15(16)18)17(20)19-2/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide?
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide is sourced from PubChem (CID 82070425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).