N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide

C22H30N2O3 — CID 20563594

IUPACN-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide
SMILESCC(COc1ccc2ccc(=O)n(C)c2c1)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C22H30N2O3/c1-16(13-22(26)23(2)18-7-5-4-6-8-18)15-27-19-11-9-17-10-12-21(25)24(3)20(17)14-19/h9-12,14,16,18H,4-8,13,15H2,1-3H3
InChIKeyZWBGOHLLYWXPJE-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.73
Rot. Bonds6

About N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide

N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide (PubChem CID 20563594) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide.

Molecular Properties

Compound NameN-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide
PubChem CID20563594
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide
SMILESCC(COc1ccc2ccc(=O)n(C)c2c1)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C22H30N2O3/c1-16(13-22(26)23(2)18-7-5-4-6-8-18)15-27-19-11-9-17-10-12-21(25)24(3)20(17)14-19/h9-12,14,16,18H,4-8,13,15H2,1-3H3
InChIKeyZWBGOHLLYWXPJE-UHFFFAOYSA-N
XLogP3.73
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide?
The IUPAC name of N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide (CID 20563594) is N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide.
What is the SMILES notation for N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide?
The canonical SMILES for N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide is CC(COc1ccc2ccc(=O)n(C)c2c1)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide?
The InChIKey is ZWBGOHLLYWXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16(13-22(26)23(2)18-7-5-4-6-8-18)15-27-19-11-9-17-10-12-21(25)24(3)20(17)14-19/h9-12,14,16,18H,4-8,13,15H2,1-3H3.
What are the key properties of N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide?
N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide has a molecular weight of 370.49 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide is sourced from PubChem (CID 20563594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).