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

C13H17N3O4 — CID 106956085

IUPAC5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H17N3O4/c14-9-1-2-11(10(7-9)13(15)18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,14H2,(H2,15,18)
InChIKeyKRNUTBUKXAJUDU-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.39
Rot. Bonds4

About 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide

5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 106956085) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID106956085
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESNC(=O)c1cc(N)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C13H17N3O4/c14-9-1-2-11(10(7-9)13(15)18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,14H2,(H2,15,18)
InChIKeyKRNUTBUKXAJUDU-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

4-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 106955473
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
CID 107665226
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 106956085) is 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide is NC(=O)c1cc(N)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is KRNUTBUKXAJUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-9-1-2-11(10(7-9)13(15)18)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 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
5-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 5-amino-2-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 106956085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).