CID 58198127

C24H29N3O3 — CID 58198127

IUPAC—
SMILESCOc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C2(CCC(C)(O)CC2)C3)c1
InChIInChI=1S/C24H29N3O3/c1-22(28)9-11-23(12-10-22)15-18-8-7-17(16-5-4-6-19(13-16)29-3)14-20(18)24(23)26-21(25)27(2)30-24/h4-8,13-14,28H,9-12,15H2,1-3H3,(H2,25,26)
InChIKeyOFJOAKRTCYRUHH-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.57
Rot. Bonds2

About CID 58198127

CID 58198127 (PubChem CID 58198127) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol.

Molecular Properties

Compound NameCID 58198127
PubChem CID58198127
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name—
SMILESCOc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C2(CCC(C)(O)CC2)C3)c1
InChIInChI=1S/C24H29N3O3/c1-22(28)9-11-23(12-10-22)15-18-8-7-17(16-5-4-6-19(13-16)29-3)14-20(18)24(23)26-21(25)27(2)30-24/h4-8,13-14,28H,9-12,15H2,1-3H3,(H2,25,26)
InChIKeyOFJOAKRTCYRUHH-UHFFFAOYSA-N
XLogP3.57
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 58198127?
The IUPAC name of CID 58198127 (CID 58198127) is not available.
What is the SMILES notation for CID 58198127?
The canonical SMILES for CID 58198127 is COc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)O2)C2(CCC(C)(O)CC2)C3)c1.
What is the InChIKey of CID 58198127?
The InChIKey is OFJOAKRTCYRUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-22(28)9-11-23(12-10-22)15-18-8-7-17(16-5-4-6-19(13-16)29-3)14-20(18)24(23)26-21(25)27(2)30-24/h4-8,13-14,28H,9-12,15H2,1-3H3,(H2,25,26).
What are the key properties of CID 58198127?
CID 58198127 has a molecular weight of 407.51 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58198127 is sourced from PubChem (CID 58198127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).