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

C20H26N2O3 — CID 46109904

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NC2CC3CCC2C3)CC1=O
InChIInChI=1S/C20H26N2O3/c1-25-18-5-3-2-4-15(18)11-22-12-16(10-19(22)23)20(24)21-17-9-13-6-7-14(17)8-13/h2-5,13-14,16-17H,6-12H2,1H3,(H,21,24)
InChIKeyAUVHWNQCQCBRPC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109904) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46109904
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CN1CC(C(=O)NC2CC3CCC2C3)CC1=O
InChIInChI=1S/C20H26N2O3/c1-25-18-5-3-2-4-15(18)11-22-12-16(10-19(22)23)20(24)21-17-9-13-6-7-14(17)8-13/h2-5,13-14,16-17H,6-12H2,1H3,(H,21,24)
InChIKeyAUVHWNQCQCBRPC-UHFFFAOYSA-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

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Related Compounds

(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 98639974
(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99730752
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
N-(3,5-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46172093
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
1-[(2-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113183860
(3S)-1-[(2-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39337419
(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39310520
N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42653435
1-[(2-methoxyphenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46109903

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46109904) is N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CN1CC(C(=O)NC2CC3CCC2C3)CC1=O.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AUVHWNQCQCBRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-18-5-3-2-4-15(18)11-22-12-16(10-19(22)23)20(24)21-17-9-13-6-7-14(17)8-13/h2-5,13-14,16-17H,6-12H2,1H3,(H,21,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-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 N-(2-bicyclo[2.2.1]heptanyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).