N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide

C20H24N2O3 — CID 3558526

IUPACN-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-15(23)21-18-9-3-5-11-20(18)25-14-17(24)13-22-12-6-8-16-7-2-4-10-19(16)22/h2-5,7,9-11,17,24H,6,8,12-14H2,1H3,(H,21,23)
InChIKeyIBMYWDUEEBYSQJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.84
Rot. Bonds6

About N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 3558526) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID3558526
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(O)CN1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-15(23)21-18-9-3-5-11-20(18)25-14-17(24)13-22-12-6-8-16-7-2-4-10-19(16)22/h2-5,7,9-11,17,24H,6,8,12-14H2,1H3,(H,21,23)
InChIKeyIBMYWDUEEBYSQJ-UHFFFAOYSA-N
XLogP2.84
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 97243371
N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 57259350
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-nitrophenoxy)propan-2-ol
CID 3763167
1-(2,3-dihydroindol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 138959504
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-[4-[(2R)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 94488286
1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylmethoxypropan-2-ol
CID 3804893
methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 71888209
N-[2-[(2S)-3-[4-[(4-chlorophenyl)methyl]-2-oxopiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 25116230
5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
CID 117068954

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 3558526) is N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OCC(O)CN1CCCc2ccccc21.
What is the InChIKey of N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is IBMYWDUEEBYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)21-18-9-3-5-11-20(18)25-14-17(24)13-22-12-6-8-16-7-2-4-10-19(16)22/h2-5,7,9-11,17,24H,6,8,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 3558526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).