3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide

C24H30N2O3 — CID 78891707

IUPAC3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-8-4-17(5-9-19)6-12-22(27)25-14-15-29-20-10-11-21-18(16-20)7-13-23(28)26-21/h4-5,8-11,16H,6-7,12-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFLDUTVYPTJVUJM-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.00
Rot. Bonds7

About 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide

3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide (PubChem CID 78891707) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
PubChem CID78891707
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-8-4-17(5-9-19)6-12-22(27)25-14-15-29-20-10-11-21-18(16-20)7-13-23(28)26-21/h4-5,8-11,16H,6-7,12-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyFLDUTVYPTJVUJM-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111230362
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
CID 110788637
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100561035
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
methyl N-[4-[[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]methyl]phenyl]carbamate
CID 55963525
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78892163

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide (CID 78891707) is 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide is CC(C)(C)c1ccc(CCC(=O)NCCOc2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide?
The InChIKey is FLDUTVYPTJVUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)19-8-4-17(5-9-19)6-12-22(27)25-14-15-29-20-10-11-21-18(16-20)7-13-23(28)26-21/h4-5,8-11,16H,6-7,12-15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide?
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide is sourced from PubChem (CID 78891707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).