2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide

C23H30N2O — CID 16837174

IUPAC2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCCCN1CCCc2cc(CCNC(=O)Cc3cccc(C)c3)ccc21
InChIInChI=1S/C23H30N2O/c1-3-13-25-14-5-8-21-16-19(9-10-22(21)25)11-12-24-23(26)17-20-7-4-6-18(2)15-20/h4,6-7,9-10,15-16H,3,5,8,11-14,17H2,1-2H3,(H,24,26)
InChIKeyGSWFLVKJJVUUHZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.06
Rot. Bonds7

About 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide

2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (PubChem CID 16837174) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
PubChem CID16837174
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCCCN1CCCc2cc(CCNC(=O)Cc3cccc(C)c3)ccc21
InChIInChI=1S/C23H30N2O/c1-3-13-25-14-5-8-21-16-19(9-10-22(21)25)11-12-24-23(26)17-20-7-4-6-18(2)15-20/h4,6-7,9-10,15-16H,3,5,8,11-14,17H2,1-2H3,(H,24,26)
InChIKeyGSWFLVKJJVUUHZ-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (CID 16837174) is 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is CCCN1CCCc2cc(CCNC(=O)Cc3cccc(C)c3)ccc21.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is GSWFLVKJJVUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-13-25-14-5-8-21-16-19(9-10-22(21)25)11-12-24-23(26)17-20-7-4-6-18(2)15-20/h4,6-7,9-10,15-16H,3,5,8,11-14,17H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 16837174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).