2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide

C21H21N3O5 — CID 4993979

IUPAC2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O5/c1-14(25)22-18-5-3-2-4-17(18)19(26)20(27)23-16-8-6-15(7-9-16)21(28)24-10-12-29-13-11-24/h2-9H,10-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyOFKRPVVVRLAPOZ-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide

2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide (PubChem CID 4993979) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
PubChem CID4993979
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
SMILESCC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O5/c1-14(25)22-18-5-3-2-4-17(18)19(26)20(27)23-16-8-6-15(7-9-16)21(28)24-10-12-29-13-11-24/h2-9H,10-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyOFKRPVVVRLAPOZ-UHFFFAOYSA-N
XLogP1.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamidophenyl)-N-(4-ethylphenyl)-2-oxoacetamide;ethane
CID 143694562
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
2-(2-chloroanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810418
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
CID 175025885
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
N-[4-(2-aminooxiran-2-yl)phenyl]-2-imino-2-[2-[[4-(morpholine-4-carbonyl)phenyl]methylamino]phenyl]acetamide
CID 163486986
2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
2-(2-methoxyphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194742
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide (CID 4993979) is 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide is CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
The InChIKey is OFKRPVVVRLAPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14(25)22-18-5-3-2-4-17(18)19(26)20(27)23-16-8-6-15(7-9-16)21(28)24-10-12-29-13-11-24/h2-9H,10-13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide has a molecular weight of 395.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 4993979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).