(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide

C23H22N2O3 — CID 1088301

IUPAC(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-21-11-9-20(10-12-21)25-15-18(14-22(25)26)23(27)24-19-8-7-16-5-3-4-6-17(16)13-19/h3-13,18H,2,14-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyJOZQLRVDLAEZRV-GOSISDBHSA-N
MW374.44 g/mol
LogP4.23
Rot. Bonds5

About (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 1088301) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID1088301
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1
InChIInChI=1S/C23H22N2O3/c1-2-28-21-11-9-20(10-12-21)25-15-18(14-22(25)26)23(27)24-19-8-7-16-5-3-4-6-17(16)13-19/h3-13,18H,2,14-15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyJOZQLRVDLAEZRV-GOSISDBHSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
1-(4-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2925121
1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498477
(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8024266
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide (CID 1088301) is (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JOZQLRVDLAEZRV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-28-21-11-9-20(10-12-21)25-15-18(14-22(25)26)23(27)24-19-8-7-16-5-3-4-6-17(16)13-19/h3-13,18H,2,14-15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1088301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).