CID 95792521

C20H27N3O3 — CID 95792521

IUPAC—
SMILESCC(C)CC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1
InChIInChI=1S/C20H27N3O3/c1-14(2)11-17(24)23-9-7-19(8-10-23)12-20(13-26-19)21-16-6-4-3-5-15(16)18(25)22-20/h3-6,14,21H,7-13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyNHOGXVQFCSXCCN-HXUWFJFHSA-N
MW357.45 g/mol
LogP2.37
Rot. Bonds2

About CID 95792521

CID 95792521 (PubChem CID 95792521) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol.

Molecular Properties

Compound NameCID 95792521
PubChem CID95792521
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name—
SMILESCC(C)CC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1
InChIInChI=1S/C20H27N3O3/c1-14(2)11-17(24)23-9-7-19(8-10-23)12-20(13-26-19)21-16-6-4-3-5-15(16)18(25)22-20/h3-6,14,21H,7-13H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyNHOGXVQFCSXCCN-HXUWFJFHSA-N
XLogP2.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 95792521?
The IUPAC name of CID 95792521 (CID 95792521) is not available.
What is the SMILES notation for CID 95792521?
The canonical SMILES for CID 95792521 is CC(C)CC(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1.
What is the InChIKey of CID 95792521?
The InChIKey is NHOGXVQFCSXCCN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)11-17(24)23-9-7-19(8-10-23)12-20(13-26-19)21-16-6-4-3-5-15(16)18(25)22-20/h3-6,14,21H,7-13H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of CID 95792521?
CID 95792521 has a molecular weight of 357.45 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 95792521 is sourced from PubChem (CID 95792521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).