N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide

C15H20N2O5 — CID 110696737

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2COCC(=O)N2)cc1OC
InChIInChI=1S/C15H20N2O5/c1-20-12-4-3-10(7-13(12)21-2)5-6-16-15(19)11-8-22-9-14(18)17-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFOBQQPDCYCMKNR-UHFFFAOYSA-N
MW308.33 g/mol
LogP-0.12
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide (PubChem CID 110696737) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
PubChem CID110696737
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2COCC(=O)N2)cc1OC
InChIInChI=1S/C15H20N2O5/c1-20-12-4-3-10(7-13(12)21-2)5-6-16-15(19)11-8-22-9-14(18)17-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyFOBQQPDCYCMKNR-UHFFFAOYSA-N
XLogP-0.12
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110795519
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 110696712
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110648512
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108506308
6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3710979

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide (CID 110696737) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide is COc1ccc(CCNC(=O)C2COCC(=O)N2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is FOBQQPDCYCMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-20-12-4-3-10(7-13(12)21-2)5-6-16-15(19)11-8-22-9-14(18)17-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).