N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide

C27H32N2O3 — CID 15572912

IUPACN-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide
SMILESO=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N(CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C27H32N2O3/c30-26-16-13-22-20-24(14-15-25(22)28-26)32-19-7-12-27(31)29(23-10-5-2-6-11-23)18-17-21-8-3-1-4-9-21/h1,3-4,8-9,13-16,20,23H,2,5-7,10-12,17-19H2,(H,28,30)
InChIKeyQBPNORJCNDQXNZ-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.09
Rot. Bonds9

About N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide

N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide (PubChem CID 15572912) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide
PubChem CID15572912
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide
SMILESO=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N(CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C27H32N2O3/c30-26-16-13-22-20-24(14-15-25(22)28-26)32-19-7-12-27(31)29(23-10-5-2-6-11-23)18-17-21-8-3-1-4-9-21/h1,3-4,8-9,13-16,20,23H,2,5-7,10-12,17-19H2,(H,28,30)
InChIKeyQBPNORJCNDQXNZ-UHFFFAOYSA-N
XLogP5.09
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl butanoate
CID 13107965
N-(3-hydroxycyclohexyl)-N-(2-hydroxyethyl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13288178
N-cyclopropyl-N-ethyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 13112648
N-(cyclohexylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-sulfanylethyl)pentanamide
CID 14747781
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 20563548
N-(2-acetamidoethyl)-N-(cyclooctylmethyl)-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747718
N-(cyclooctylmethyl)-N-[3-(diethylamino)propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide;oxalic acid
CID 14747792
N-(cyclooctylmethyl)-N-[(1-methylpiperidin-3-yl)methyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747728
N-(1-cyclopentylpropan-2-yl)-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
CID 20563579
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-(cyclooctylmethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide
CID 14747681

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide?
The IUPAC name of N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide (CID 15572912) is N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide is O=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N(CCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide?
The InChIKey is QBPNORJCNDQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c30-26-16-13-22-20-24(14-15-25(22)28-26)32-19-7-12-27(31)29(23-10-5-2-6-11-23)18-17-21-8-3-1-4-9-21/h1,3-4,8-9,13-16,20,23H,2,5-7,10-12,17-19H2,(H,28,30).
What are the key properties of N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide?
N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide has a molecular weight of 432.56 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 15572912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).