N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide

C22H32N2O4 — CID 54203867

IUPACN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide
SMILESO=C1CCc2c(cccc2OCCCC(=O)N(CCO)CC2CCCCC2)N1
InChIInChI=1S/C22H32N2O4/c25-14-13-24(16-17-6-2-1-3-7-17)22(27)10-5-15-28-20-9-4-8-19-18(20)11-12-21(26)23-19/h4,8-9,17,25H,1-3,5-7,10-16H2,(H,23,26)
InChIKeyPRDIZEWSKNQZMJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.13
Rot. Bonds9

About N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide

N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide (PubChem CID 54203867) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide
PubChem CID54203867
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide
SMILESO=C1CCc2c(cccc2OCCCC(=O)N(CCO)CC2CCCCC2)N1
InChIInChI=1S/C22H32N2O4/c25-14-13-24(16-17-6-2-1-3-7-17)22(27)10-5-15-28-20-9-4-8-19-18(20)11-12-21(26)23-19/h4,8-9,17,25H,1-3,5-7,10-16H2,(H,23,26)
InChIKeyPRDIZEWSKNQZMJ-UHFFFAOYSA-N
XLogP3.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
CID 12821844
N-(cyclopentylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626766
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-5-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]pentanamide
CID 135626550
N-(4-cyclohexylbutyl)-N-(2-hydroxyethyl)-6-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl)oxy]hexanamide
CID 135973968
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
5-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11726587
5-[3-(4-benzylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 3060986
5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70399576
5-[3-(1-methyl-4-phenylpiperidin-1-ium-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13064810
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907
5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54559605
4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
CID 65454087

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide (CID 54203867) is N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide is O=C1CCc2c(cccc2OCCCC(=O)N(CCO)CC2CCCCC2)N1.
What is the InChIKey of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide?
The InChIKey is PRDIZEWSKNQZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c25-14-13-24(16-17-6-2-1-3-7-17)22(27)10-5-15-28-20-9-4-8-19-18(20)11-12-21(26)23-19/h4,8-9,17,25H,1-3,5-7,10-16H2,(H,23,26).
What are the key properties of N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide?
N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide has a molecular weight of 388.51 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-(2-hydroxyethyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanamide is sourced from PubChem (CID 54203867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).