N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C21H26N2O2 — CID 90640703

IUPACN-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C21H26N2O2/c1-16(2)23(14-17-8-4-3-5-9-17)21(24)15-25-20-12-13-22-19-11-7-6-10-18(19)20/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3
InChIKeyGTMNHZJHQNUGSI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.78
Rot. Bonds6

About N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640703) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640703
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C21H26N2O2/c1-16(2)23(14-17-8-4-3-5-9-17)21(24)15-25-20-12-13-22-19-11-7-6-10-18(19)20/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3
InChIKeyGTMNHZJHQNUGSI-UHFFFAOYSA-N
XLogP3.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640703) is N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is CC(C)N(Cc1ccccc1)C(=O)COc1ccnc2c1CCCC2.
What is the InChIKey of N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is GTMNHZJHQNUGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)23(14-17-8-4-3-5-9-17)21(24)15-25-20-12-13-22-19-11-7-6-10-18(19)20/h3-5,8-9,12-13,16H,6-7,10-11,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).