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

C21H26N2O2 — CID 16837017

IUPAC2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C21H26N2O2/c1-23-13-3-4-18-14-17(7-10-20(18)23)11-12-22-21(24)15-16-5-8-19(25-2)9-6-16/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,22,24)
InChIKeyNTCFXOMZPFHNGR-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.98
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (PubChem CID 16837017) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
PubChem CID16837017
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc3c(c2)CCCN3C)cc1
InChIInChI=1S/C21H26N2O2/c1-23-13-3-4-18-14-17(7-10-20(18)23)11-12-22-21(24)15-16-5-8-19(25-2)9-6-16/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,22,24)
InChIKeyNTCFXOMZPFHNGR-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide (CID 16837017) is 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2ccc3c(c2)CCCN3C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
The InChIKey is NTCFXOMZPFHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23-13-3-4-18-14-17(7-10-20(18)23)11-12-22-21(24)15-16-5-8-19(25-2)9-6-16/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 16837017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).