N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride

C25H27ClN2O3 — CID 19026199

IUPACN-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride
SMILESCC(=O)N(OCc1ccccc1)C1CCCc2nc(OCc3ccccc3)ccc21.Cl
InChIInChI=1S/C25H26N2O3.ClH/c1-19(28)27(30-18-21-11-6-3-7-12-21)24-14-8-13-23-22(24)15-16-25(26-23)29-17-20-9-4-2-5-10-20;/h2-7,9-12,15-16,24H,8,13-14,17-18H2,1H3;1H
InChIKeyUYCWQULISCAOAY-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.44
Rot. Bonds7

About N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride

N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride (PubChem CID 19026199) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride
PubChem CID19026199
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC NameN-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride
SMILESCC(=O)N(OCc1ccccc1)C1CCCc2nc(OCc3ccccc3)ccc21.Cl
InChIInChI=1S/C25H26N2O3.ClH/c1-19(28)27(30-18-21-11-6-3-7-12-21)24-14-8-13-23-22(24)15-16-25(26-23)29-17-20-9-4-2-5-10-20;/h2-7,9-12,15-16,24H,8,13-14,17-18H2,1H3;1H
InChIKeyUYCWQULISCAOAY-UHFFFAOYSA-N
XLogP5.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride?
The IUPAC name of N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride (CID 19026199) is N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride.
What is the SMILES notation for N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride?
The canonical SMILES for N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride is CC(=O)N(OCc1ccccc1)C1CCCc2nc(OCc3ccccc3)ccc21.Cl.
What is the InChIKey of N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride?
The InChIKey is UYCWQULISCAOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3.ClH/c1-19(28)27(30-18-21-11-6-3-7-12-21)24-14-8-13-23-22(24)15-16-25(26-23)29-17-20-9-4-2-5-10-20;/h2-7,9-12,15-16,24H,8,13-14,17-18H2,1H3;1H.
What are the key properties of N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride?
N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride has a molecular weight of 438.96 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 19026199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).