N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

C21H28N2O5 — CID 13288178

IUPACN-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
SMILESO=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N(CCO)C1CCCC(O)C1
InChIInChI=1S/C21H28N2O5/c24-11-10-23(16-3-1-4-17(25)14-16)21(27)5-2-12-28-18-7-8-19-15(13-18)6-9-20(26)22-19/h6-9,13,16-17,24-25H,1-5,10-12,14H2,(H,22,26)
InChIKeyVRBDJIXPYHZXOX-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.81
Rot. Bonds8

About N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide

N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 13288178) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
PubChem CID13288178
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
SMILESO=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N(CCO)C1CCCC(O)C1
InChIInChI=1S/C21H28N2O5/c24-11-10-23(16-3-1-4-17(25)14-16)21(27)5-2-12-28-18-7-8-19-15(13-18)6-9-20(26)22-19/h6-9,13,16-17,24-25H,1-5,10-12,14H2,(H,22,26)
InChIKeyVRBDJIXPYHZXOX-UHFFFAOYSA-N
XLogP1.81
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide
CID 15572912
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13112648
2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate
CID 13107965
N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide
CID 14747781
N-(2-acetamidoethyl)-N-(cyclooctylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747718
4-(4-bromophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 43576564
1-cyclopropyl-1-[(1S,2S)-2-(3-hydroxypropoxy)cyclohexyl]-3-[3-[(2-oxo-1H-quinolin-6-yl)oxy]propyl]urea
CID 70191424
N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 20563579
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747728
N-(cyclooctylmethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747681
N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid
CID 14747792

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide (CID 13288178) is N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is O=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N(CCO)C1CCCC(O)C1.
What is the InChIKey of N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is VRBDJIXPYHZXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c24-11-10-23(16-3-1-4-17(25)14-16)21(27)5-2-12-28-18-7-8-19-15(13-18)6-9-20(26)22-19/h6-9,13,16-17,24-25H,1-5,10-12,14H2,(H,22,26).
What are the key properties of N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide?
N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 388.46 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 13288178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).