3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide

C15H23N3O4 — CID 93216837

IUPAC3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
SMILESCCCNC(=O)COc1ccc(C(=O)NCCOC)cc1N
InChIInChI=1S/C15H23N3O4/c1-3-6-17-14(19)10-22-13-5-4-11(9-12(13)16)15(20)18-7-8-21-2/h4-5,9H,3,6-8,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIOSXQRSXZHISER-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.55
Rot. Bonds9

About 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide

3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide (PubChem CID 93216837) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
PubChem CID93216837
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
SMILESCCCNC(=O)COc1ccc(C(=O)NCCOC)cc1N
InChIInChI=1S/C15H23N3O4/c1-3-6-17-14(19)10-22-13-5-4-11(9-12(13)16)15(20)18-7-8-21-2/h4-5,9H,3,6-8,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIOSXQRSXZHISER-UHFFFAOYSA-N
XLogP0.55
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 82070436
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
4-amino-3-[2-(2-methoxyethylamino)-2-oxoethoxy]-N-prop-2-enylbenzamide
CID 93216570
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-N-[3-(dimethylamino)propyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 93216830
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide (CID 93216837) is 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide is CCCNC(=O)COc1ccc(C(=O)NCCOC)cc1N.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide?
The InChIKey is IOSXQRSXZHISER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-3-6-17-14(19)10-22-13-5-4-11(9-12(13)16)15(20)18-7-8-21-2/h4-5,9H,3,6-8,10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide?
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide has a molecular weight of 309.37 g/mol, XLogP of 0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide is sourced from PubChem (CID 93216837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).