N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

C20H24N2O3 — CID 50747143

IUPACN-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H24N2O3/c1-14-6-11-19(25-3)17(13-14)21-20(23)22-12-4-5-18(22)15-7-9-16(24-2)10-8-15/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyINUHICAROCUTLR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.38
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide

N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 50747143) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID50747143
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C20H24N2O3/c1-14-6-11-19(25-3)17(13-14)21-20(23)22-12-4-5-18(22)15-7-9-16(24-2)10-8-15/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyINUHICAROCUTLR-UHFFFAOYSA-N
XLogP4.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide (CID 50747143) is N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is INUHICAROCUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-6-11-19(25-3)17(13-14)21-20(23)22-12-4-5-18(22)15-7-9-16(24-2)10-8-15/h6-11,13,18H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50747143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).