N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide

C32H44N2O3 — CID 77232699

IUPACN-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide
SMILESCC(=O)NC12CCC(C)(C)CC1C1C(=O)C=C3C4(C)C=C(C#N)C(=O)C(C)(C)C4CCC3(C)C1(C)CC2
InChIInChI=1S/C32H44N2O3/c1-19(35)34-32-13-11-27(2,3)17-21(32)25-22(36)15-24-29(6)16-20(18-33)26(37)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3,(H,34,35)
InChIKeyMXZQJSKPUZWONN-UHFFFAOYSA-N
MW504.72 g/mol
LogP6.09
Rot. Bonds1

About N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide

N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide (PubChem CID 77232699) has the molecular formula C32H44N2O3 and a molecular weight of 504.72 g/mol. Its IUPAC name is N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide.

Molecular Properties

Compound NameN-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide
PubChem CID77232699
Molecular FormulaC32H44N2O3
Molecular Weight504.72 g/mol
Exact Mass504.34
IUPAC NameN-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide
SMILESCC(=O)NC12CCC(C)(C)CC1C1C(=O)C=C3C4(C)C=C(C#N)C(=O)C(C)(C)C4CCC3(C)C1(C)CC2
InChIInChI=1S/C32H44N2O3/c1-19(35)34-32-13-11-27(2,3)17-21(32)25-22(36)15-24-29(6)16-20(18-33)26(37)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3,(H,34,35)
InChIKeyMXZQJSKPUZWONN-UHFFFAOYSA-N
XLogP6.09
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-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-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide?
The IUPAC name of N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide (CID 77232699) is N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide.
What is the SMILES notation for N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide?
The canonical SMILES for N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide is CC(=O)NC12CCC(C)(C)CC1C1C(=O)C=C3C4(C)C=C(C#N)C(=O)C(C)(C)C4CCC3(C)C1(C)CC2.
What is the InChIKey of N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide?
The InChIKey is MXZQJSKPUZWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O3/c1-19(35)34-32-13-11-27(2,3)17-21(32)25-22(36)15-24-29(6)16-20(18-33)26(37)28(4,5)23(29)9-10-30(24,7)31(25,8)12-14-32/h15-16,21,23,25H,9-14,17H2,1-8H3,(H,34,35).
What are the key properties of N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide?
N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide has a molecular weight of 504.72 g/mol, XLogP of 6.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl)acetamide is sourced from PubChem (CID 77232699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).