CID 58197118

C24H27N3O2 — CID 58197118

IUPAC—
SMILESCCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)C2
InChIInChI=1S/C24H27N3O2/c1-3-29-19-9-8-18-15-23(12-10-16-6-4-5-7-17(16)11-13-23)24(20(18)14-19)21(28)27(2)22(25)26-24/h4-9,14H,3,10-13,15H2,1-2H3,(H2,25,26)
InChIKeyXCSYDWWDDYTSNC-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.19
Rot. Bonds2

About CID 58197118

CID 58197118 (PubChem CID 58197118) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol.

Molecular Properties

Compound NameCID 58197118
PubChem CID58197118
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name—
SMILESCCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)C2
InChIInChI=1S/C24H27N3O2/c1-3-29-19-9-8-18-15-23(12-10-16-6-4-5-7-17(16)11-13-23)24(20(18)14-19)21(28)27(2)22(25)26-24/h4-9,14H,3,10-13,15H2,1-2H3,(H2,25,26)
InChIKeyXCSYDWWDDYTSNC-UHFFFAOYSA-N
XLogP3.19
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58197118?
The IUPAC name of CID 58197118 (CID 58197118) is not available.
What is the SMILES notation for CID 58197118?
The canonical SMILES for CID 58197118 is CCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)C2.
What is the InChIKey of CID 58197118?
The InChIKey is XCSYDWWDDYTSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-29-19-9-8-18-15-23(12-10-16-6-4-5-7-17(16)11-13-23)24(20(18)14-19)21(28)27(2)22(25)26-24/h4-9,14H,3,10-13,15H2,1-2H3,(H2,25,26).
What are the key properties of CID 58197118?
CID 58197118 has a molecular weight of 389.50 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197118 is sourced from PubChem (CID 58197118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).