CID 24988861

C25H34N2O4 — CID 24988861

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?/m1/s1
InChIKeyBHKXHLYFWWKDIS-FUXGOZERSA-N
MW426.56 g/mol
LogP3.82
Rot. Bonds4

About CID 24988861

CID 24988861 (PubChem CID 24988861) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol.

Molecular Properties

Compound NameCID 24988861
PubChem CID24988861
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?/m1/s1
InChIKeyBHKXHLYFWWKDIS-FUXGOZERSA-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'}

Analyze CID 24988861 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137631820
CID 137631820
CID 46890898
CID 46890898
CID 46885791
CID 46885791
CID 137390024
CID 137390024
CID 146523904
CID 146523904
CID 147252289
CID 147252289
CID 160480907
CID 160480907
CID 20801778
CID 20801778
CID 24988493
CID 24988493
CID 24988859
CID 24988859
3-[3-[2-(benzylamino)ethyl]spiro[1,2,4-trioxolane-5,2'-adamantane]-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 44634268
(2S)-2-amino-N-[(1S)-2-[[4-[(2-methoxy-2-adamantyl)peroxy]cyclohexyl]methylamino]-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 89171497

Frequently Asked Questions

What is the IUPAC name of CID 24988861?
The IUPAC name of CID 24988861 (CID 24988861) is not available.
What is the SMILES notation for CID 24988861?
The canonical SMILES for CID 24988861 is N[C@@H](C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of CID 24988861?
The InChIKey is BHKXHLYFWWKDIS-FUXGOZERSA-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?/m1/s1.
What are the key properties of CID 24988861?
CID 24988861 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 24988861 is sourced from PubChem (CID 24988861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).