CID 58197208

C23H31N3O3 — CID 58197208

IUPAC—
SMILESCOCCN1C(=O)C2(N=C1N)c1cc(C3CC3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C23H31N3O3/c1-28-12-11-26-20(27)23(25-21(26)24)19-13-16(15-3-4-15)5-6-17(19)14-22(23)9-7-18(29-2)8-10-22/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3,(H2,24,25)
InChIKeyRXHPIRHKFAXUJM-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.69
Rot. Bonds5

About CID 58197208

CID 58197208 (PubChem CID 58197208) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol.

Molecular Properties

Compound NameCID 58197208
PubChem CID58197208
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name—
SMILESCOCCN1C(=O)C2(N=C1N)c1cc(C3CC3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C23H31N3O3/c1-28-12-11-26-20(27)23(25-21(26)24)19-13-16(15-3-4-15)5-6-17(19)14-22(23)9-7-18(29-2)8-10-22/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3,(H2,24,25)
InChIKeyRXHPIRHKFAXUJM-UHFFFAOYSA-N
XLogP2.69
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58197208?
The IUPAC name of CID 58197208 (CID 58197208) is not available.
What is the SMILES notation for CID 58197208?
The canonical SMILES for CID 58197208 is COCCN1C(=O)C2(N=C1N)c1cc(C3CC3)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 58197208?
The InChIKey is RXHPIRHKFAXUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-28-12-11-26-20(27)23(25-21(26)24)19-13-16(15-3-4-15)5-6-17(19)14-22(23)9-7-18(29-2)8-10-22/h5-6,13,15,18H,3-4,7-12,14H2,1-2H3,(H2,24,25).
What are the key properties of CID 58197208?
CID 58197208 has a molecular weight of 397.52 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197208 is sourced from PubChem (CID 58197208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).