(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H26N2O3 — CID 98639974

IUPAC(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2=O)c1
InChIInChI=1S/C20H26N2O3/c1-25-17-4-2-3-14(8-17)11-22-12-16(10-19(22)23)20(24)21-18-9-13-5-6-15(18)7-13/h2-4,8,13,15-16,18H,5-7,9-12H2,1H3,(H,21,24)/t13-,15-,16+,18-/m0/s1
InChIKeyWXXSIELKQBBRRD-SCNOPHJPSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds5

About (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 98639974) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID98639974
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2=O)c1
InChIInChI=1S/C20H26N2O3/c1-25-17-4-2-3-14(8-17)11-22-12-16(10-19(22)23)20(24)21-18-9-13-5-6-15(18)7-13/h2-4,8,13,15-16,18H,5-7,9-12H2,1H3,(H,21,24)/t13-,15-,16+,18-/m0/s1
InChIKeyWXXSIELKQBBRRD-SCNOPHJPSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109904
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99730752
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
(4S)-1-[(3-methoxyphenyl)methyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 93017947
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109790
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183927
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 98639974) is (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(CN2C[C@H](C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)CC2=O)c1.
What is the InChIKey of (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WXXSIELKQBBRRD-SCNOPHJPSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-17-4-2-3-14(8-17)11-22-12-16(10-19(22)23)20(24)21-18-9-13-5-6-15(18)7-13/h2-4,8,13,15-16,18H,5-7,9-12H2,1H3,(H,21,24)/t13-,15-,16+,18-/m0/s1.
What are the key properties of (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 98639974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).