CID 58197764

C23H31N3O2 — CID 58197764

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H31N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H2,24,25)
InChIKeyBQUBZDBGLJUIQX-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.14
Rot. Bonds4

About CID 58197764

CID 58197764 (PubChem CID 58197764) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol.

Molecular Properties

Compound NameCID 58197764
PubChem CID58197764
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21N=C(N)N(C)C1=O
InChIInChI=1S/C23H31N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H2,24,25)
InChIKeyBQUBZDBGLJUIQX-UHFFFAOYSA-N
XLogP3.14
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197764?
The IUPAC name of CID 58197764 (CID 58197764) is not available.
What is the SMILES notation for CID 58197764?
The canonical SMILES for CID 58197764 is COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21N=C(N)N(C)C1=O.
What is the InChIKey of CID 58197764?
The InChIKey is BQUBZDBGLJUIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-26-20(27)23(25-21(26)24)19-13-16(6-5-15-3-4-15)7-8-17(19)14-22(23)11-9-18(28-2)10-12-22/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H2,24,25).
What are the key properties of CID 58197764?
CID 58197764 has a molecular weight of 381.52 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197764 is sourced from PubChem (CID 58197764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).