2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide

C17H24N2O3 — CID 146123500

IUPAC2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NC2CCOCC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-15-5-2-4-13(12-15)16-6-3-9-19(16)17(20)18-14-7-10-22-11-8-14/h2,4-5,12,14,16H,3,6-11H2,1H3,(H,18,20)
InChIKeyVCSAGDAGZCWMSU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.72
Rot. Bonds3

About 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide

2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 146123500) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID146123500
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)NC2CCOCC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-15-5-2-4-13(12-15)16-6-3-9-19(16)17(20)18-14-7-10-22-11-8-14/h2,4-5,12,14,16H,3,6-11H2,1H3,(H,18,20)
InChIKeyVCSAGDAGZCWMSU-UHFFFAOYSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
N-(5-hydroxy-4,4-dimethylpentyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 111755058
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide (CID 146123500) is 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide is COc1cccc(C2CCCN2C(=O)NC2CCOCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is VCSAGDAGZCWMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-15-5-2-4-13(12-15)16-6-3-9-19(16)17(20)18-14-7-10-22-11-8-14/h2,4-5,12,14,16H,3,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146123500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).