CID 168850934

C30H43N5O5 — CID 168850934

IUPAC—
SMILESCc1cc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)nc(N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1
InChIInChI=1S/C30H43N5O5/c1-20-18-23(32-26(31-20)35-15-9-14-34(19-21(35)2)27(36)39-28(3,4)5)24-22-10-8-12-29(25(22)33-40-24)11-6-7-13-30(29)37-16-17-38-30/h18,21H,6-17,19H2,1-5H3/t21-,29-/m0/s1
InChIKeyIYCKRAURHDOQCE-LGGPFLRQSA-N
MW553.70 g/mol
LogP5.17
Rot. Bonds2

About CID 168850934

CID 168850934 (PubChem CID 168850934) has the molecular formula C30H43N5O5 and a molecular weight of 553.70 g/mol.

Molecular Properties

Compound NameCID 168850934
PubChem CID168850934
Molecular FormulaC30H43N5O5
Molecular Weight553.70 g/mol
Exact Mass553.33
IUPAC Name—
SMILESCc1cc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)nc(N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1
InChIInChI=1S/C30H43N5O5/c1-20-18-23(32-26(31-20)35-15-9-14-34(19-21(35)2)27(36)39-28(3,4)5)24-22-10-8-12-29(25(22)33-40-24)11-6-7-13-30(29)37-16-17-38-30/h18,21H,6-17,19H2,1-5H3/t21-,29-/m0/s1
InChIKeyIYCKRAURHDOQCE-LGGPFLRQSA-N
XLogP5.17
TPSA103.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.70
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of CID 168850934?
The IUPAC name of CID 168850934 (CID 168850934) is not available.
What is the SMILES notation for CID 168850934?
The canonical SMILES for CID 168850934 is Cc1cc(-c2onc3c2CCC[C@@]32CCCCC23OCCO3)nc(N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1.
What is the InChIKey of CID 168850934?
The InChIKey is IYCKRAURHDOQCE-LGGPFLRQSA-N. The full InChI is InChI=1S/C30H43N5O5/c1-20-18-23(32-26(31-20)35-15-9-14-34(19-21(35)2)27(36)39-28(3,4)5)24-22-10-8-12-29(25(22)33-40-24)11-6-7-13-30(29)37-16-17-38-30/h18,21H,6-17,19H2,1-5H3/t21-,29-/m0/s1.
What are the key properties of CID 168850934?
CID 168850934 has a molecular weight of 553.70 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168850934 is sourced from PubChem (CID 168850934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).