CID 24988493

C25H34N2O4 — CID 24988493

IUPAC—
SMILESN[C@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C25H34N2O4/c26-22(19-4-2-1-3-5-19)23(28)27-15-16-6-8-24(9-7-16)29-25(31-30-24)20-11-17-10-18(13-20)14-21(25)12-17/h1-5,16-18,20-22H,6-15,26H2,(H,27,28)/t16?,17?,18?,20?,21?,22-,24?,25?/m0/s1
InChIKeyBHKXHLYFWWKDIS-HERIXMSXSA-N
MW426.56 g/mol
LogP3.82
Rot. Bonds4

About CID 24988493

CID 24988493 (PubChem CID 24988493) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol.

Molecular Properties

Compound NameCID 24988493
PubChem CID24988493
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name—
SMILESN[C@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C25H34N2O4/c26-22(19-4-2-1-3-5-19)23(28)27-15-16-6-8-24(9-7-16)29-25(31-30-24)20-11-17-10-18(13-20)14-21(25)12-17/h1-5,16-18,20-22H,6-15,26H2,(H,27,28)/t16?,17?,18?,20?,21?,22-,24?,25?/m0/s1
InChIKeyBHKXHLYFWWKDIS-HERIXMSXSA-N
XLogP3.82
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 24988493?
The IUPAC name of CID 24988493 (CID 24988493) is not available.
What is the SMILES notation for CID 24988493?
The canonical SMILES for CID 24988493 is N[C@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of CID 24988493?
The InChIKey is BHKXHLYFWWKDIS-HERIXMSXSA-N. The full InChI is InChI=1S/C25H34N2O4/c26-22(19-4-2-1-3-5-19)23(28)27-15-16-6-8-24(9-7-16)29-25(31-30-24)20-11-17-10-18(13-20)14-21(25)12-17/h1-5,16-18,20-22H,6-15,26H2,(H,27,28)/t16?,17?,18?,20?,21?,22-,24?,25?/m0/s1.
What are the key properties of CID 24988493?
CID 24988493 has a molecular weight of 426.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24988493 is sourced from PubChem (CID 24988493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).