N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide

C22H30N4O4 — CID 139028024

IUPACN'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCC2)cc1N1CCCC1=O
InChIInChI=1S/C22H30N4O4/c1-16-5-6-17(14-18(16)26-9-2-4-19(26)27)24-21(29)20(28)23-15-22(7-3-8-22)25-10-12-30-13-11-25/h5-6,14H,2-4,7-13,15H2,1H3,(H,23,28)(H,24,29)
InChIKeyIOYBXYKSRQJZGL-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.43
Rot. Bonds5

About N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide

N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide (PubChem CID 139028024) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide
PubChem CID139028024
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCC2)cc1N1CCCC1=O
InChIInChI=1S/C22H30N4O4/c1-16-5-6-17(14-18(16)26-9-2-4-19(26)27)24-21(29)20(28)23-15-22(7-3-8-22)25-10-12-30-13-11-25/h5-6,14H,2-4,7-13,15H2,1H3,(H,23,28)(H,24,29)
InChIKeyIOYBXYKSRQJZGL-UHFFFAOYSA-N
XLogP1.43
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.43
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

N-[(4-morpholin-4-ylthian-4-yl)methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 139028076
N-(3,4-dimethylphenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680052
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-N-propyloxamide
CID 30679260
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 121132968
N'-(3-fluoro-4-methylphenyl)-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680066
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
N-[(4-methoxyphenyl)methyl]-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680010
1-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 118795968
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90534935
N'-(2,5-difluorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584453

Frequently Asked Questions

What is the IUPAC name of N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide?
The IUPAC name of N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide (CID 139028024) is N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide.
What is the SMILES notation for N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide?
The canonical SMILES for N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CCC2)cc1N1CCCC1=O.
What is the InChIKey of N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide?
The InChIKey is IOYBXYKSRQJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-16-5-6-17(14-18(16)26-9-2-4-19(26)27)24-21(29)20(28)23-15-22(7-3-8-22)25-10-12-30-13-11-25/h5-6,14H,2-4,7-13,15H2,1H3,(H,23,28)(H,24,29).
What are the key properties of N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide?
N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide has a molecular weight of 414.51 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-morpholin-4-ylcyclobutyl)methyl]oxamide is sourced from PubChem (CID 139028024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).