(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

C35H35N3O2 — CID 44570932

IUPAC(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@H]3c2ccccc2)cc1
InChIInChI=1S/C35H35N3O2/c1-34(2,27-14-8-4-9-15-27)28-18-20-29(21-19-28)36-33(40)37-24-22-35(23-25-37)31(26-12-6-3-7-13-26)38(32(35)39)30-16-10-5-11-17-30/h3-21,31H,22-25H2,1-2H3,(H,36,40)/t31-/m0/s1
InChIKeyUYRPECZHMPHDNV-HKBQPEDESA-N
MW529.68 g/mol
LogP7.41
Rot. Bonds5

About (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide

(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 44570932) has the molecular formula C35H35N3O2 and a molecular weight of 529.68 g/mol. Its IUPAC name is (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID44570932
Molecular FormulaC35H35N3O2
Molecular Weight529.68 g/mol
Exact Mass529.27
IUPAC Name(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)(c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@H]3c2ccccc2)cc1
InChIInChI=1S/C35H35N3O2/c1-34(2,27-14-8-4-9-15-27)28-18-20-29(21-19-28)36-33(40)37-24-22-35(23-25-37)31(26-12-6-3-7-13-26)38(32(35)39)30-16-10-5-11-17-30/h3-21,31H,22-25H2,1-2H3,(H,36,40)/t31-/m0/s1
InChIKeyUYRPECZHMPHDNV-HKBQPEDESA-N
XLogP7.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide 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 (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 44570932) is (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)(c1ccccc1)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@H]3c2ccccc2)cc1.
What is the InChIKey of (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is UYRPECZHMPHDNV-HKBQPEDESA-N. The full InChI is InChI=1S/C35H35N3O2/c1-34(2,27-14-8-4-9-15-27)28-18-20-29(21-19-28)36-33(40)37-24-22-35(23-25-37)31(26-12-6-3-7-13-26)38(32(35)39)30-16-10-5-11-17-30/h3-21,31H,22-25H2,1-2H3,(H,36,40)/t31-/m0/s1.
What are the key properties of (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide?
(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 529.68 g/mol, XLogP of 7.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 44570932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).