4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide

C14H19N3O4 — CID 83094011

IUPAC4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
SMILESCCOc1ccc(C(=O)N2CCOCC2C(N)=O)cc1N
InChIInChI=1S/C14H19N3O4/c1-2-21-12-4-3-9(7-10(12)15)14(19)17-5-6-20-8-11(17)13(16)18/h3-4,7,11H,2,5-6,8,15H2,1H3,(H2,16,18)
InChIKeyMMYBFYLYPGAEQZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.01
Rot. Bonds4

About 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide

4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide (PubChem CID 83094011) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
PubChem CID83094011
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
SMILESCCOc1ccc(C(=O)N2CCOCC2C(N)=O)cc1N
InChIInChI=1S/C14H19N3O4/c1-2-21-12-4-3-9(7-10(12)15)14(19)17-5-6-20-8-11(17)13(16)18/h3-4,7,11H,2,5-6,8,15H2,1H3,(H2,16,18)
InChIKeyMMYBFYLYPGAEQZ-UHFFFAOYSA-N
XLogP-0.01
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.01
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-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-(4-ethoxy-3-nitrobenzoyl)morpholine-3-carboxylic acid
CID 119216524
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61094264
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide (CID 83094011) is 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide is CCOc1ccc(C(=O)N2CCOCC2C(N)=O)cc1N.
What is the InChIKey of 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide?
The InChIKey is MMYBFYLYPGAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-12-4-3-9(7-10(12)15)14(19)17-5-6-20-8-11(17)13(16)18/h3-4,7,11H,2,5-6,8,15H2,1H3,(H2,16,18).
What are the key properties of 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide?
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83094011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).