2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide

C27H40N2O3 — CID 68999776

IUPAC2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide
SMILESCCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21
InChIInChI=1S/C27H40N2O3/c1-6-15-28(16-14-27(2,3)4)25(30)19-29-24-18-22(32-5)13-12-21(24)17-23(26(29)31)20-10-8-7-9-11-20/h12-13,17-18,20H,6-11,14-16,19H2,1-5H3
InChIKeyGATCFLYFSHSJEF-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.73
Rot. Bonds8

About 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide

2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide (PubChem CID 68999776) has the molecular formula C27H40N2O3 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide
PubChem CID68999776
Molecular FormulaC27H40N2O3
Molecular Weight440.63 g/mol
Exact Mass440.30
IUPAC Name2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide
SMILESCCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21
InChIInChI=1S/C27H40N2O3/c1-6-15-28(16-14-27(2,3)4)25(30)19-29-24-18-22(32-5)13-12-21(24)17-23(26(29)31)20-10-8-7-9-11-20/h12-13,17-18,20H,6-11,14-16,19H2,1-5H3
InChIKeyGATCFLYFSHSJEF-UHFFFAOYSA-N
XLogP5.73
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide
CID 24784110
2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 24783600
N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide
CID 24785892
2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 24784866
N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide
CID 24782579
2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(5-hydroxypentyl)acetamide
CID 24785098
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
CID 68999797
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731
2-(3-ethyl-7-methoxy-2-oxoquinolin-1-yl)-N,N-bis(3-methylbutyl)acetamide
CID 24782581
N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
CID 11696301
2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide
CID 24785097
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 68997311

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide?
The IUPAC name of 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide (CID 68999776) is 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide?
The canonical SMILES for 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide is CCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21.
What is the InChIKey of 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide?
The InChIKey is GATCFLYFSHSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3/c1-6-15-28(16-14-27(2,3)4)25(30)19-29-24-18-22(32-5)13-12-21(24)17-23(26(29)31)20-10-8-7-9-11-20/h12-13,17-18,20H,6-11,14-16,19H2,1-5H3.
What are the key properties of 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide?
2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide has a molecular weight of 440.63 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide is sourced from PubChem (CID 68999776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).