CID 101467354

C22H32N3O2 — CID 101467354

IUPAC—
SMILESC#CCN(C)Cc1ccc(CC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1
InChIInChI=1S/C22H32N3O2/c1-7-12-24(6)16-18-10-8-17(9-11-18)13-20(26)23-19-14-21(2,3)25(27)22(4,5)15-19/h1,8-11,19H,12-16H2,2-6H3,(H,23,26)
InChIKeyJJIOPOQLLJGARK-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.78
Rot. Bonds6

About CID 101467354

CID 101467354 (PubChem CID 101467354) has the molecular formula C22H32N3O2 and a molecular weight of 370.52 g/mol.

Molecular Properties

Compound NameCID 101467354
PubChem CID101467354
Molecular FormulaC22H32N3O2
Molecular Weight370.52 g/mol
Exact Mass370.25
IUPAC Name—
SMILESC#CCN(C)Cc1ccc(CC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1
InChIInChI=1S/C22H32N3O2/c1-7-12-24(6)16-18-10-8-17(9-11-18)13-20(26)23-19-14-21(2,3)25(27)22(4,5)15-19/h1,8-11,19H,12-16H2,2-6H3,(H,23,26)
InChIKeyJJIOPOQLLJGARK-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101467354?
The IUPAC name of CID 101467354 (CID 101467354) is not available.
What is the SMILES notation for CID 101467354?
The canonical SMILES for CID 101467354 is C#CCN(C)Cc1ccc(CC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)cc1.
What is the InChIKey of CID 101467354?
The InChIKey is JJIOPOQLLJGARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N3O2/c1-7-12-24(6)16-18-10-8-17(9-11-18)13-20(26)23-19-14-21(2,3)25(27)22(4,5)15-19/h1,8-11,19H,12-16H2,2-6H3,(H,23,26).
What are the key properties of CID 101467354?
CID 101467354 has a molecular weight of 370.52 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101467354 is sourced from PubChem (CID 101467354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).