N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide

C22H28N2O2 — CID 70468051

IUPACN-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C(C)Oc1ccccc1)C(C)(C)CC2C
InChIInChI=1S/C22H28N2O2/c1-15-14-22(4,5)24(17(3)26-19-9-7-6-8-10-19)21-13-18(23-16(2)25)11-12-20(15)21/h6-13,15,17H,14H2,1-5H3,(H,23,25)
InChIKeyRJIIUQOVRDWFIT-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.16
Rot. Bonds4

About N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide

N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide (PubChem CID 70468051) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide
PubChem CID70468051
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C(C)Oc1ccccc1)C(C)(C)CC2C
InChIInChI=1S/C22H28N2O2/c1-15-14-22(4,5)24(17(3)26-19-9-7-6-8-10-19)21-13-18(23-16(2)25)11-12-20(15)21/h6-13,15,17H,14H2,1-5H3,(H,23,25)
InChIKeyRJIIUQOVRDWFIT-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide?
The IUPAC name of N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide (CID 70468051) is N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide.
What is the SMILES notation for N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide?
The canonical SMILES for N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide is CC(=O)Nc1ccc2c(c1)N(C(C)Oc1ccccc1)C(C)(C)CC2C.
What is the InChIKey of N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide?
The InChIKey is RJIIUQOVRDWFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-14-22(4,5)24(17(3)26-19-9-7-6-8-10-19)21-13-18(23-16(2)25)11-12-20(15)21/h6-13,15,17H,14H2,1-5H3,(H,23,25).
What are the key properties of N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide?
N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide is sourced from PubChem (CID 70468051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).