(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide

C23H24N2O3 — CID 30238687

IUPAC(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C23H24N2O3/c1-27-17-12-13-19(22(15-17)28-2)21-11-6-14-25(21)23(26)24-20-10-5-8-16-7-3-4-9-18(16)20/h3-5,7-10,12-13,15,21H,6,11,14H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyFTZHWHOAMRTKLT-NRFANRHFSA-N
MW376.46 g/mol
LogP5.23
Rot. Bonds4

About (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide

(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 30238687) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
PubChem CID30238687
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3ccccc23)c(OC)c1
InChIInChI=1S/C23H24N2O3/c1-27-17-12-13-19(22(15-17)28-2)21-11-6-14-25(21)23(26)24-20-10-5-8-16-7-3-4-9-18(16)20/h3-5,7-10,12-13,15,21H,6,11,14H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyFTZHWHOAMRTKLT-NRFANRHFSA-N
XLogP5.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 42920231
2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60543502
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 39972982
2-(2,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidine-1-carboxamide
CID 60595713
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 42761005

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 30238687) is (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide is COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc3ccccc23)c(OC)c1.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The InChIKey is FTZHWHOAMRTKLT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-17-12-13-19(22(15-17)28-2)21-11-6-14-25(21)23(26)24-20-10-5-8-16-7-3-4-9-18(16)20/h3-5,7-10,12-13,15,21H,6,11,14H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 30238687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).