(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C23H26N2O6 — CID 22878879

IUPAC(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)CN2CCC[C@H]2C(=O)NC(=O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H26N2O6/c1-29-19-12-11-16(20(30-2)21(19)31-3)18(26)14-25-13-7-10-17(25)23(28)24-22(27)15-8-5-4-6-9-15/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,24,27,28)/t17-/m0/s1
InChIKeyZIIPPULGWYSNHN-KRWDZBQOSA-N
MW426.47 g/mol
LogP2.32
Rot. Bonds8

About (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide

(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 22878879) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID22878879
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)CN2CCC[C@H]2C(=O)NC(=O)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H26N2O6/c1-29-19-12-11-16(20(30-2)21(19)31-3)18(26)14-25-13-7-10-17(25)23(28)24-22(27)15-8-5-4-6-9-15/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,24,27,28)/t17-/m0/s1
InChIKeyZIIPPULGWYSNHN-KRWDZBQOSA-N
XLogP2.32
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-benzyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 67619248
(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
(2R)-N-benzoyl-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620122
(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 139629637
(2S)-N-benzoyl-1-[(4E,6E)-2,3-dioxoocta-4,6-dienyl]pyrrolidine-2-carboxamide
CID 22878875
(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide
CID 67619742
(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
CID 139629640
(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621202
(2-morpholin-4-yl-1-phenylethyl) 2-[(2S)-2-(benzoylcarbamoyl)pyrrolidin-1-yl]acetate
CID 22878877
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597
(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67619747

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 22878879) is (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(C(=O)CN2CCC[C@H]2C(=O)NC(=O)c2ccccc2)c(OC)c1OC.
What is the InChIKey of (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ZIIPPULGWYSNHN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-29-19-12-11-16(20(30-2)21(19)31-3)18(26)14-25-13-7-10-17(25)23(28)24-22(27)15-8-5-4-6-9-15/h4-6,8-9,11-12,17H,7,10,13-14H2,1-3H3,(H,24,27,28)/t17-/m0/s1.
What are the key properties of (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22878879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).