CID 118579362

C23H27N3O — CID 118579362

IUPAC—
SMILESCC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H27N3O/c1-15-9-11-22(12-10-15)14-18-8-7-17(6-5-16-3-4-16)13-19(18)23(22)20(27)26(2)21(24)25-23/h7-8,13,15-16H,3-4,9-12,14H2,1-2H3,(H2,24,25)
InChIKeyIHDFBBDBIZAPHI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.18
Rot. Bonds

About CID 118579362

CID 118579362 (PubChem CID 118579362) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol.

Molecular Properties

Compound NameCID 118579362
PubChem CID118579362
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name—
SMILESCC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H27N3O/c1-15-9-11-22(12-10-15)14-18-8-7-17(6-5-16-3-4-16)13-19(18)23(22)20(27)26(2)21(24)25-23/h7-8,13,15-16H,3-4,9-12,14H2,1-2H3,(H2,24,25)
InChIKeyIHDFBBDBIZAPHI-UHFFFAOYSA-N
XLogP3.18
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.18
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 118579362?
The IUPAC name of CID 118579362 (CID 118579362) is not available.
What is the SMILES notation for CID 118579362?
The canonical SMILES for CID 118579362 is CC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 118579362?
The InChIKey is IHDFBBDBIZAPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-15-9-11-22(12-10-15)14-18-8-7-17(6-5-16-3-4-16)13-19(18)23(22)20(27)26(2)21(24)25-23/h7-8,13,15-16H,3-4,9-12,14H2,1-2H3,(H2,24,25).
What are the key properties of CID 118579362?
CID 118579362 has a molecular weight of 361.49 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118579362 is sourced from PubChem (CID 118579362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).