3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate

C24H30N2O3 — CID 25205227

IUPAC3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCCC(C)C)ccc21
InChIInChI=1S/C24H30N2O3/c1-17(2)12-15-29-23(28)25-20-10-11-22-21(16-20)24(4,13-14-26(22)18(3)27)19-8-6-5-7-9-19/h5-11,16-17H,12-15H2,1-4H3,(H,25,28)
InChIKeyJOEBARIVRGDWFY-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.34
Rot. Bonds5

About 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate

3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate (PubChem CID 25205227) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Name3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
PubChem CID25205227
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate
SMILESCC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCCC(C)C)ccc21
InChIInChI=1S/C24H30N2O3/c1-17(2)12-15-29-23(28)25-20-10-11-22-21(16-20)24(4,13-14-26(22)18(3)27)19-8-6-5-7-9-19/h5-11,16-17H,12-15H2,1-4H3,(H,25,28)
InChIKeyJOEBARIVRGDWFY-UHFFFAOYSA-N
XLogP5.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
The IUPAC name of 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate (CID 25205227) is 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate.
What is the SMILES notation for 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
The canonical SMILES for 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate is CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCCC(C)C)ccc21.
What is the InChIKey of 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
The InChIKey is JOEBARIVRGDWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)12-15-29-23(28)25-20-10-11-22-21(16-20)24(4,13-14-26(22)18(3)27)19-8-6-5-7-9-19/h5-11,16-17H,12-15H2,1-4H3,(H,25,28).
What are the key properties of 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate?
3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate has a molecular weight of 394.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)carbamate is sourced from PubChem (CID 25205227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).