N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide

C24H22N2O — CID 46407692

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H22N2O/c1-25(18-20-8-11-21-6-2-3-7-22(21)16-20)24(27)17-19-9-12-23(13-10-19)26-14-4-5-15-26/h2-16H,17-18H2,1H3
InChIKeyJGPAYOPZJYIKRC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.83
Rot. Bonds5

About N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide

N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 46407692) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID46407692
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C24H22N2O/c1-25(18-20-8-11-21-6-2-3-7-22(21)16-20)24(27)17-19-9-12-23(13-10-19)26-14-4-5-15-26/h2-16H,17-18H2,1H3
InChIKeyJGPAYOPZJYIKRC-UHFFFAOYSA-N
XLogP4.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide (CID 46407692) is N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide is CN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is JGPAYOPZJYIKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-25(18-20-8-11-21-6-2-3-7-22(21)16-20)24(27)17-19-9-12-23(13-10-19)26-14-4-5-15-26/h2-16H,17-18H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 46407692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).