N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C21H26N2O2 — CID 54817149

IUPACN-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCCCOc1ccccc1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-2-3-15-25-20-13-7-5-11-18(20)22-21(24)16-23-14-8-10-17-9-4-6-12-19(17)23/h4-7,9,11-13H,2-3,8,10,14-16H2,1H3,(H,22,24)
InChIKeyGUVNGABXYFVQKA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.26
Rot. Bonds7

About N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 54817149) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID54817149
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCCCOc1ccccc1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-2-3-15-25-20-13-7-5-11-18(20)22-21(24)16-23-14-8-10-17-9-4-6-12-19(17)23/h4-7,9,11-13H,2-3,8,10,14-16H2,1H3,(H,22,24)
InChIKeyGUVNGABXYFVQKA-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
2-(2,3-dihydroindol-1-yl)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810870
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N-(2-butoxyphenyl)propanamide
CID 15943029
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-propoxyphenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 24568564
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 54817149) is N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is CCCCOc1ccccc1NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is GUVNGABXYFVQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-15-25-20-13-7-5-11-18(20)22-21(24)16-23-14-8-10-17-9-4-6-12-19(17)23/h4-7,9,11-13H,2-3,8,10,14-16H2,1H3,(H,22,24).
What are the key properties of N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 54817149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).