1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H27N3O4 — CID 17120978

IUPAC1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)c1
InChIInChI=1S/C24H27N3O4/c1-16-11-17(2)13-19(12-16)27-15-18(14-22(27)28)23(29)25-21-6-4-3-5-20(21)24(30)26-7-9-31-10-8-26/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,25,29)
InChIKeyINQZDPGUYHDBMK-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.77
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120978) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17120978
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)c1
InChIInChI=1S/C24H27N3O4/c1-16-11-17(2)13-19(12-16)27-15-18(14-22(27)28)23(29)25-21-6-4-3-5-20(21)24(30)26-7-9-31-10-8-26/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,25,29)
InChIKeyINQZDPGUYHDBMK-UHFFFAOYSA-N
XLogP2.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
N-[2-(morpholine-4-carbonyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118806
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005208
(3R)-1-(2-methylphenyl)-5-oxo-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 41168785
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9373650
(3R)-N-(2,6-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005185
(3S)-1-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220419
N-[4-(morpholine-4-carbonyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153816
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55676823
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220413

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17120978) is 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CC(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is INQZDPGUYHDBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-11-17(2)13-19(12-16)27-15-18(14-22(27)28)23(29)25-21-6-4-3-5-20(21)24(30)26-7-9-31-10-8-26/h3-6,11-13,18H,7-10,14-15H2,1-2H3,(H,25,29).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).