N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

C20H28N2O3 — CID 13200334

IUPACN-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h10-11,14,16H,2-9,12-13H2,1H3,(H,21,23)
InChIKeyXSUBCFUQNASGMT-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.52
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide

N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (PubChem CID 13200334) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
PubChem CID13200334
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h10-11,14,16H,2-9,12-13H2,1H3,(H,21,23)
InChIKeyXSUBCFUQNASGMT-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.52
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-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide (CID 13200334) is N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is CN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
The InChIKey is XSUBCFUQNASGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h10-11,14,16H,2-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide?
N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide has a molecular weight of 344.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide is sourced from PubChem (CID 13200334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).