4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C13H17N3O4 — CID 106955473

IUPAC4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESNC(=O)c1ccc(N)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H17N3O4/c14-9-1-2-10(13(15)18)11(7-9)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,14H2,(H2,15,18)
InChIKeyWYJIDCLSMUBZPS-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.39
Rot. Bonds4

About 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide

4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 106955473) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID106955473
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESNC(=O)c1ccc(N)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H17N3O4/c14-9-1-2-10(13(15)18)11(7-9)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,14H2,(H2,15,18)
InChIKeyWYJIDCLSMUBZPS-UHFFFAOYSA-N
XLogP-0.39
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106956085
4-amino-2-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 106954733
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 106955473) is 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide is NC(=O)c1ccc(N)cc1OCC(=O)N1CCOCC1.
What is the InChIKey of 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is WYJIDCLSMUBZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-9-1-2-10(13(15)18)11(7-9)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,14H2,(H2,15,18).
What are the key properties of 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 279.30 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 106955473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).