1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide

C19H22N2O2 — CID 46948649

IUPAC1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCN1CCC(C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O2/c1-19(11-12-21(2)14-19)18(22)20-15-7-6-10-17(13-15)23-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,20,22)
InChIKeyMGGZZSBYQAKGNA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.76
Rot. Bonds4

About 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide

1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 46948649) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID46948649
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESCN1CCC(C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O2/c1-19(11-12-21(2)14-19)18(22)20-15-7-6-10-17(13-15)23-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,20,22)
InChIKeyMGGZZSBYQAKGNA-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 46948649) is 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide is CN1CCC(C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MGGZZSBYQAKGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(11-12-21(2)14-19)18(22)20-15-7-6-10-17(13-15)23-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,20,22).
What are the key properties of 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide?
1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46948649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).