N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide

C26H32N2O3 — CID 24782579

IUPACN-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide
SMILESCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(OC)cc21
InChIInChI=1S/C26H32N2O3/c1-6-27(15-14-26(2,3)4)24(29)18-28-23-17-21(31-5)13-12-20(23)16-22(25(28)30)19-10-8-7-9-11-19/h7-13,16-17H,6,14-15,18H2,1-5H3
InChIKeyGVIFFDXOPNCNMM-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.96
Rot. Bonds7

About N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide

N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide (PubChem CID 24782579) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide
PubChem CID24782579
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide
SMILESCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(OC)cc21
InChIInChI=1S/C26H32N2O3/c1-6-27(15-14-26(2,3)4)24(29)18-28-23-17-21(31-5)13-12-20(23)16-22(25(28)30)19-10-8-7-9-11-19/h7-13,16-17H,6,14-15,18H2,1-5H3
InChIKeyGVIFFDXOPNCNMM-UHFFFAOYSA-N
XLogP4.96
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide (CID 24782579) is N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide is CCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(OC)cc21.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide?
The InChIKey is GVIFFDXOPNCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-6-27(15-14-26(2,3)4)24(29)18-28-23-17-21(31-5)13-12-20(23)16-22(25(28)30)19-10-8-7-9-11-19/h7-13,16-17H,6,14-15,18H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide?
N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide has a molecular weight of 420.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide is sourced from PubChem (CID 24782579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).