N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C25H27N3O2 — CID 52900698

IUPACN-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-24(18-28-25(30)17-21-13-7-8-14-23(21)27-28)26-16-15-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,17,22H,7-8,13-16,18H2,(H,26,29)
InChIKeyAWYLIJCCULMHDL-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.46
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 52900698) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID52900698
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESO=C(Cn1nc2c(cc1=O)CCCC2)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27N3O2/c29-24(18-28-25(30)17-21-13-7-8-14-23(21)27-28)26-16-15-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,17,22H,7-8,13-16,18H2,(H,26,29)
InChIKeyAWYLIJCCULMHDL-UHFFFAOYSA-N
XLogP3.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 52900698) is N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is O=C(Cn1nc2c(cc1=O)CCCC2)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is AWYLIJCCULMHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-24(18-28-25(30)17-21-13-7-8-14-23(21)27-28)26-16-15-22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,17,22H,7-8,13-16,18H2,(H,26,29).
What are the key properties of N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 52900698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).