N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C20H24N2O2 — CID 50747185

IUPACN-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC1c1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-14-10-11-19(24-3)17(13-14)21-20(23)22-12-6-9-18(22)16-8-5-4-7-15(16)2/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3,(H,21,23)
InChIKeyXRYHDVABZJZANO-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.68
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747185) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID50747185
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCCC1c1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-14-10-11-19(24-3)17(13-14)21-20(23)22-12-6-9-18(22)16-8-5-4-7-15(16)2/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3,(H,21,23)
InChIKeyXRYHDVABZJZANO-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 50747185) is N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCCC1c1ccccc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is XRYHDVABZJZANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-10-11-19(24-3)17(13-14)21-20(23)22-12-6-9-18(22)16-8-5-4-7-15(16)2/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).