N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H26N2O3 — CID 90635279

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC3Cc4ccccc4CO3)CC2=O)cc1C
InChIInChI=1S/C23H26N2O3/c1-15-7-8-20(9-16(15)2)25-13-19(11-22(25)26)23(27)24-12-21-10-17-5-3-4-6-18(17)14-28-21/h3-9,19,21H,10-14H2,1-2H3,(H,24,27)
InChIKeyFIJOVVJXCDQHKP-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.91
Rot. Bonds4

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90635279) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90635279
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCC3Cc4ccccc4CO3)CC2=O)cc1C
InChIInChI=1S/C23H26N2O3/c1-15-7-8-20(9-16(15)2)25-13-19(11-22(25)26)23(27)24-12-21-10-17-5-3-4-6-18(17)14-28-21/h3-9,19,21H,10-14H2,1-2H3,(H,24,27)
InChIKeyFIJOVVJXCDQHKP-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 848285
(3S)-1-(3,4-dimethylphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 97038590
(3S)-1-(3,4-dimethylphenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 97038592
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
1-(3,4-dimethylphenyl)-N-(2-hydroxy-3-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 56765286
1-(3-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46401098
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
(3S)-N-[3-(diethylamino)propyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393210
(3R)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52907112

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 90635279) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCC3Cc4ccccc4CO3)CC2=O)cc1C.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FIJOVVJXCDQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-7-8-20(9-16(15)2)25-13-19(11-22(25)26)23(27)24-12-21-10-17-5-3-4-6-18(17)14-28-21/h3-9,19,21H,10-14H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90635279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).