1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide

C41H48N2O4 — CID 77217558

IUPAC1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CC(N(C(=O)C1(C(N)=O)CC1)C(CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H48N2O4/c1-29(2)27-35(40(46,31-17-9-5-10-18-31)32-19-11-6-12-20-32)43(38(45)39(25-26-39)37(42)44)36(28-30(3)4)41(47,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-24,29-30,35-36,46-47H,25-28H2,1-4H3,(H2,42,44)
InChIKeyYRLLIFZNSGZUNW-UHFFFAOYSA-N
MW632.85 g/mol
LogP6.78
Rot. Bonds14

About 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide

1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 77217558) has the molecular formula C41H48N2O4 and a molecular weight of 632.85 g/mol. Its IUPAC name is 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide
PubChem CID77217558
Molecular FormulaC41H48N2O4
Molecular Weight632.85 g/mol
Exact Mass632.36
IUPAC Name1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CC(N(C(=O)C1(C(N)=O)CC1)C(CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C41H48N2O4/c1-29(2)27-35(40(46,31-17-9-5-10-18-31)32-19-11-6-12-20-32)43(38(45)39(25-26-39)37(42)44)36(28-30(3)4)41(47,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-24,29-30,35-36,46-47H,25-28H2,1-4H3,(H2,42,44)
InChIKeyYRLLIFZNSGZUNW-UHFFFAOYSA-N
XLogP6.78
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.85
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide 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 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide (CID 77217558) is 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide is CC(C)CC(N(C(=O)C1(C(N)=O)CC1)C(CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is YRLLIFZNSGZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N2O4/c1-29(2)27-35(40(46,31-17-9-5-10-18-31)32-19-11-6-12-20-32)43(38(45)39(25-26-39)37(42)44)36(28-30(3)4)41(47,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-24,29-30,35-36,46-47H,25-28H2,1-4H3,(H2,42,44).
What are the key properties of 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide?
1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 632.85 g/mol, XLogP of 6.78, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 77217558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).