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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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).