N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C20H26N2O4 — CID 166073602

IUPACN-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(OC2CC3CCC2C3)cc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C20H26N2O4/c1-22-16(6-8-19(22)23)20(24)21-15-11-14(5-7-17(15)25-2)26-18-10-12-3-4-13(18)9-12/h5,7,11-13,16,18H,3-4,6,8-10H2,1-2H3,(H,21,24)
InChIKeyVSYGEGWMIZLADT-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.82
Rot. Bonds5

About N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166073602) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166073602
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(OC2CC3CCC2C3)cc1NC(=O)C1CCC(=O)N1C
InChIInChI=1S/C20H26N2O4/c1-22-16(6-8-19(22)23)20(24)21-15-11-14(5-7-17(15)25-2)26-18-10-12-3-4-13(18)9-12/h5,7,11-13,16,18H,3-4,6,8-10H2,1-2H3,(H,21,24)
InChIKeyVSYGEGWMIZLADT-UHFFFAOYSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
N-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687358
(2S)-N-[5-(3-chloro-4-cyanophenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073787
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
(2S,3R)-N-(2,5-dimethoxyphenyl)-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91911601
N-(2,5-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 53029582
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2,5-dimethylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687327
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133070
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166073602) is N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(OC2CC3CCC2C3)cc1NC(=O)C1CCC(=O)N1C.
What is the InChIKey of N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VSYGEGWMIZLADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-22-16(6-8-19(22)23)20(24)21-15-11-14(5-7-17(15)25-2)26-18-10-12-3-4-13(18)9-12/h5,7,11-13,16,18H,3-4,6,8-10H2,1-2H3,(H,21,24).
What are the key properties of N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bicyclo[2.2.1]heptanyloxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166073602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).