6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide

C23H26N2O4 — CID 170505914

IUPAC6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H26N2O4/c1-15-12-19(17-8-5-9-17)29-23(28)21(15)22(27)24-18-13-20(26)25(14-18)11-10-16-6-3-2-4-7-16/h2-4,6-7,12,17-18H,5,8-11,13-14H2,1H3,(H,24,27)
InChIKeyJRLGGVSXNUBBGU-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.79
Rot. Bonds6

About 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide

6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide (PubChem CID 170505914) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide
PubChem CID170505914
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H26N2O4/c1-15-12-19(17-8-5-9-17)29-23(28)21(15)22(27)24-18-13-20(26)25(14-18)11-10-16-6-3-2-4-7-16/h2-4,6-7,12,17-18H,5,8-11,13-14H2,1H3,(H,24,27)
InChIKeyJRLGGVSXNUBBGU-UHFFFAOYSA-N
XLogP2.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998
1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide
CID 56910824
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
6-cyclobutyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510285
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide (CID 170505914) is 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide is Cc1cc(C2CCC2)oc(=O)c1C(=O)NC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide?
The InChIKey is JRLGGVSXNUBBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-12-19(17-8-5-9-17)29-23(28)21(15)22(27)24-18-13-20(26)25(14-18)11-10-16-6-3-2-4-7-16/h2-4,6-7,12,17-18H,5,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide?
6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide is sourced from PubChem (CID 170505914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).