(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C24H24N2O4 — CID 26209339

IUPAC(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C24H24N2O4/c1-15-11-21(29-2)22(30-3)13-19(15)25-24(28)17-12-23(27)26(14-17)20-10-6-8-16-7-4-5-9-18(16)20/h4-11,13,17H,12,14H2,1-3H3,(H,25,28)/t17-/m0/s1
InChIKeyFRLYWMQDCCVQHM-KRWDZBQOSA-N
MW404.47 g/mol
LogP4.16
Rot. Bonds5

About (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 26209339) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID26209339
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C24H24N2O4/c1-15-11-21(29-2)22(30-3)13-19(15)25-24(28)17-12-23(27)26(14-17)20-10-6-8-16-7-4-5-9-18(16)20/h4-11,13,17H,12,14H2,1-3H3,(H,25,28)/t17-/m0/s1
InChIKeyFRLYWMQDCCVQHM-KRWDZBQOSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41031971
methyl 4,5-dimethoxy-2-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 4799318
(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005107

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 26209339) is (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is COc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1OC.
What is the InChIKey of (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FRLYWMQDCCVQHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-11-21(29-2)22(30-3)13-19(15)25-24(28)17-12-23(27)26(14-17)20-10-6-8-16-7-4-5-9-18(16)20/h4-11,13,17H,12,14H2,1-3H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 26209339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).