2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide

C25H28N2O2 — CID 118024464

IUPAC2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
SMILESCCOc1ccc(C)cc1C(=O)NC1CCCC1Cc1ccc2ccccc2n1
InChIInChI=1S/C25H28N2O2/c1-3-29-24-14-11-17(2)15-21(24)25(28)27-23-10-6-8-19(23)16-20-13-12-18-7-4-5-9-22(18)26-20/h4-5,7,9,11-15,19,23H,3,6,8,10,16H2,1-2H3,(H,27,28)
InChIKeyWFVWJLPQSRGMQT-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.08
Rot. Bonds6

About 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide

2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide (PubChem CID 118024464) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
PubChem CID118024464
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide
SMILESCCOc1ccc(C)cc1C(=O)NC1CCCC1Cc1ccc2ccccc2n1
InChIInChI=1S/C25H28N2O2/c1-3-29-24-14-11-17(2)15-21(24)25(28)27-23-10-6-8-19(23)16-20-13-12-18-7-4-5-9-22(18)26-20/h4-5,7,9,11-15,19,23H,3,6,8,10,16H2,1-2H3,(H,27,28)
InChIKeyWFVWJLPQSRGMQT-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
The IUPAC name of 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide (CID 118024464) is 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide.
What is the SMILES notation for 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
The canonical SMILES for 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide is CCOc1ccc(C)cc1C(=O)NC1CCCC1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
The InChIKey is WFVWJLPQSRGMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-29-24-14-11-17(2)15-21(24)25(28)27-23-10-6-8-19(23)16-20-13-12-18-7-4-5-9-22(18)26-20/h4-5,7,9,11-15,19,23H,3,6,8,10,16H2,1-2H3,(H,27,28).
What are the key properties of 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide?
2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide has a molecular weight of 388.51 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methyl-N-[2-(quinolin-2-ylmethyl)cyclopentyl]benzamide is sourced from PubChem (CID 118024464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).