2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide

C20H28N2O2 — CID 5276298

IUPAC2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
SMILESCc1ccc(O)c(C(=O)N[C@H]2CCC34CCC3N(C(C)C)C4C2)c1
InChIInChI=1S/C20H28N2O2/c1-12(2)22-17-7-9-20(17)8-6-14(11-18(20)22)21-19(24)15-10-13(3)4-5-16(15)23/h4-5,10,12,14,17-18,23H,6-9,11H2,1-3H3,(H,21,24)/t14-,17?,18?,20?/m0/s1
InChIKeyVEHAPCASTITFNV-MPCBAHKLSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds3

About 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide

2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide (PubChem CID 5276298) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
PubChem CID5276298
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
SMILESCc1ccc(O)c(C(=O)N[C@H]2CCC34CCC3N(C(C)C)C4C2)c1
InChIInChI=1S/C20H28N2O2/c1-12(2)22-17-7-9-20(17)8-6-14(11-18(20)22)21-19(24)15-10-13(3)4-5-16(15)23/h4-5,10,12,14,17-18,23H,6-9,11H2,1-3H3,(H,21,24)/t14-,17?,18?,20?/m0/s1
InChIKeyVEHAPCASTITFNV-MPCBAHKLSA-N
XLogP3.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide (CID 5276298) is 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide is Cc1ccc(O)c(C(=O)N[C@H]2CCC34CCC3N(C(C)C)C4C2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
The InChIKey is VEHAPCASTITFNV-MPCBAHKLSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-12(2)22-17-7-9-20(17)8-6-14(11-18(20)22)21-19(24)15-10-13(3)4-5-16(15)23/h4-5,10,12,14,17-18,23H,6-9,11H2,1-3H3,(H,21,24)/t14-,17?,18?,20?/m0/s1.
What are the key properties of 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide?
2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[(8S)-5-propan-2-yl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide is sourced from PubChem (CID 5276298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).