CID 24988859

C33H41N3O5 — CID 24988859

IUPAC—
SMILESN[C@H](C(=O)N[C@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H41N3O5/c34-28(24-7-3-1-4-8-24)30(37)36-29(25-9-5-2-6-10-25)31(38)35-20-21-11-13-32(14-12-21)39-33(41-40-32)26-16-22-15-23(18-26)19-27(33)17-22/h1-10,21-23,26-29H,11-20,34H2,(H,35,38)(H,36,37)/t21?,22?,23?,26?,27?,28-,29-,32?,33?/m0/s1
InChIKeyOKPLNFBGGVBMHD-DKILTLRMSA-N
MW559.71 g/mol
LogP4.68
Rot. Bonds7

About CID 24988859

CID 24988859 (PubChem CID 24988859) has the molecular formula C33H41N3O5 and a molecular weight of 559.71 g/mol.

Molecular Properties

Compound NameCID 24988859
PubChem CID24988859
Molecular FormulaC33H41N3O5
Molecular Weight559.71 g/mol
Exact Mass559.30
IUPAC Name—
SMILESN[C@H](C(=O)N[C@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1)c1ccccc1
InChIInChI=1S/C33H41N3O5/c34-28(24-7-3-1-4-8-24)30(37)36-29(25-9-5-2-6-10-25)31(38)35-20-21-11-13-32(14-12-21)39-33(41-40-32)26-16-22-15-23(18-26)19-27(33)17-22/h1-10,21-23,26-29H,11-20,34H2,(H,35,38)(H,36,37)/t21?,22?,23?,26?,27?,28-,29-,32?,33?/m0/s1
InChIKeyOKPLNFBGGVBMHD-DKILTLRMSA-N
XLogP4.68
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 24988859?
The IUPAC name of CID 24988859 (CID 24988859) is not available.
What is the SMILES notation for CID 24988859?
The canonical SMILES for CID 24988859 is N[C@H](C(=O)N[C@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 24988859?
The InChIKey is OKPLNFBGGVBMHD-DKILTLRMSA-N. The full InChI is InChI=1S/C33H41N3O5/c34-28(24-7-3-1-4-8-24)30(37)36-29(25-9-5-2-6-10-25)31(38)35-20-21-11-13-32(14-12-21)39-33(41-40-32)26-16-22-15-23(18-26)19-27(33)17-22/h1-10,21-23,26-29H,11-20,34H2,(H,35,38)(H,36,37)/t21?,22?,23?,26?,27?,28-,29-,32?,33?/m0/s1.
What are the key properties of CID 24988859?
CID 24988859 has a molecular weight of 559.71 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24988859 is sourced from PubChem (CID 24988859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).