N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

C21H28N2O3 — CID 20862027

IUPACN-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCN(C(=O)CCCOc1cc(=O)n(C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H28N2O3/c1-22(16-9-4-3-5-10-16)20(24)13-8-14-26-19-15-21(25)23(2)18-12-7-6-11-17(18)19/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3
InChIKeyRGJMWQQQMYQGRA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.49
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide

N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (PubChem CID 20862027) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
PubChem CID20862027
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
SMILESCN(C(=O)CCCOc1cc(=O)n(C)c2ccccc12)C1CCCCC1
InChIInChI=1S/C21H28N2O3/c1-22(16-9-4-3-5-10-16)20(24)13-8-14-26-19-15-21(25)23(2)18-12-7-6-11-17(18)19/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3
InChIKeyRGJMWQQQMYQGRA-UHFFFAOYSA-N
XLogP3.49
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862044
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-(3-propan-2-yloxypropyl)butanamide
CID 20862069
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
N-cyclohexyl-N-methyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 4133200
N-cyclohexyl-N,5-dimethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 15995877
N-cyclohexyl-N-methyl-4-[(2,2,5-trioxo-1,3-dihydro-[1,2,4]thiadiazolo[3,4-b]quinazolin-7-yl)oxy]butanamide
CID 135986072
N-cyclohexyl-N-methyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 3153155

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide (CID 20862027) is N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is CN(C(=O)CCCOc1cc(=O)n(C)c2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
The InChIKey is RGJMWQQQMYQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-22(16-9-4-3-5-10-16)20(24)13-8-14-26-19-15-21(25)23(2)18-12-7-6-11-17(18)19/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide?
N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide is sourced from PubChem (CID 20862027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).