4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide

C14H19N3O4 — CID 83099504

IUPAC4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C14H19N3O4/c1-16-13(18)12-8-21-6-5-17(12)14(19)10-7-9(20-2)3-4-11(10)15/h3-4,7,12H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyJUDZNXUFSXLIOJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.14
Rot. Bonds3

About 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide

4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83099504) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83099504
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1cc(OC)ccc1N
InChIInChI=1S/C14H19N3O4/c1-16-13(18)12-8-21-6-5-17(12)14(19)10-7-9(20-2)3-4-11(10)15/h3-4,7,12H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyJUDZNXUFSXLIOJ-UHFFFAOYSA-N
XLogP-0.14
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.14
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

1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106686
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-(2-fluoro-4-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83097227
4-(3-bromo-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83100374
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
CID 115413469

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide (CID 83099504) is 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1cc(OC)ccc1N.
What is the InChIKey of 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is JUDZNXUFSXLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16-13(18)12-8-21-6-5-17(12)14(19)10-7-9(20-2)3-4-11(10)15/h3-4,7,12H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide?
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83099504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).