4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide

C24H36N2O2 — CID 131985441

IUPAC4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide
SMILESC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)N(C)C)CCN2CC1CCC1
InChIInChI=1S/C24H36N2O2/c1-17-22-14-19-9-10-20(27)15-21(19)24(17,11-5-8-23(28)25(2)3)12-13-26(22)16-18-6-4-7-18/h9-10,15,17-18,22,27H,4-8,11-14,16H2,1-3H3/t17-,22+,24+/m0/s1
InChIKeyHIHMJRPRWAMXQR-VXWZWFMZSA-N
MW384.56 g/mol
LogP3.96
Rot. Bonds6

About 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide

4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide (PubChem CID 131985441) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide
PubChem CID131985441
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide
SMILESC[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)N(C)C)CCN2CC1CCC1
InChIInChI=1S/C24H36N2O2/c1-17-22-14-19-9-10-20(27)15-21(19)24(17,11-5-8-23(28)25(2)3)12-13-26(22)16-18-6-4-7-18/h9-10,15,17-18,22,27H,4-8,11-14,16H2,1-3H3/t17-,22+,24+/m0/s1
InChIKeyHIHMJRPRWAMXQR-VXWZWFMZSA-N
XLogP3.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide (CID 131985441) is 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide is C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(CCCC(=O)N(C)C)CCN2CC1CCC1.
What is the InChIKey of 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide?
The InChIKey is HIHMJRPRWAMXQR-VXWZWFMZSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-17-22-14-19-9-10-20(27)15-21(19)24(17,11-5-8-23(28)25(2)3)12-13-26(22)16-18-6-4-7-18/h9-10,15,17-18,22,27H,4-8,11-14,16H2,1-3H3/t17-,22+,24+/m0/s1.
What are the key properties of 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide?
4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide has a molecular weight of 384.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,9R,13R)-10-(cyclobutylmethyl)-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 131985441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).