(2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

C20H25N3O — CID 86669647

IUPAC(2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)n1nc(C(=O)NC(C)(C)c2ccccc2)c2c1[C@@H]1C[C@@H]1C2
InChIInChI=1S/C20H25N3O/c1-12(2)23-18-15-10-13(15)11-16(18)17(22-23)19(24)21-20(3,4)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,24)/t13-,15-/m1/s1
InChIKeyIZJDOVSLNZNNNM-UKRRQHHQSA-N
MW323.44 g/mol
LogP3.79
Rot. Bonds4

About (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide

(2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (PubChem CID 86669647) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
PubChem CID86669647
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
SMILESCC(C)n1nc(C(=O)NC(C)(C)c2ccccc2)c2c1[C@@H]1C[C@@H]1C2
InChIInChI=1S/C20H25N3O/c1-12(2)23-18-15-10-13(15)11-16(18)17(22-23)19(24)21-20(3,4)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,24)/t13-,15-/m1/s1
InChIKeyIZJDOVSLNZNNNM-UKRRQHHQSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The IUPAC name of (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide (CID 86669647) is (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide.
What is the SMILES notation for (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The canonical SMILES for (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is CC(C)n1nc(C(=O)NC(C)(C)c2ccccc2)c2c1[C@@H]1C[C@@H]1C2.
What is the InChIKey of (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
The InChIKey is IZJDOVSLNZNNNM-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H25N3O/c1-12(2)23-18-15-10-13(15)11-16(18)17(22-23)19(24)21-20(3,4)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,21,24)/t13-,15-/m1/s1.
What are the key properties of (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide?
(2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(2-phenylpropan-2-yl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide is sourced from PubChem (CID 86669647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).