4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide

C13H16N2O5 — CID 83095785

IUPAC4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCOCC2C(N)=O)cc1O
InChIInChI=1S/C13H16N2O5/c1-19-11-3-2-8(6-10(11)16)13(18)15-4-5-20-7-9(15)12(14)17/h2-3,6,9,16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyFYXZUXMWFNLPBE-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.27
Rot. Bonds3

About 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide

4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide (PubChem CID 83095785) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
PubChem CID83095785
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCOCC2C(N)=O)cc1O
InChIInChI=1S/C13H16N2O5/c1-19-11-3-2-8(6-10(11)16)13(18)15-4-5-20-7-9(15)12(14)17/h2-3,6,9,16H,4-5,7H2,1H3,(H2,14,17)
InChIKeyFYXZUXMWFNLPBE-UHFFFAOYSA-N
XLogP-0.27
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 81211614
4-(2-oxo-1H-pyridine-4-carbonyl)morpholine-3-carboxamide
CID 103889379
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide (CID 83095785) is 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide is COc1ccc(C(=O)N2CCOCC2C(N)=O)cc1O.
What is the InChIKey of 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide?
The InChIKey is FYXZUXMWFNLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-11-3-2-8(6-10(11)16)13(18)15-4-5-20-7-9(15)12(14)17/h2-3,6,9,16H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide?
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83095785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).