CID 146324392

C25H29N3O — CID 146324392

IUPAC—
SMILESC/N=C1/NC2(N=C1C)c1cc(-c3ccccc3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C25H29N3O/c1-17-23(26-2)28-25(27-17)22-15-19(18-7-5-4-6-8-18)9-10-20(22)16-24(25)13-11-21(29-3)12-14-24/h4-10,15,21H,11-14,16H2,1-3H3,(H,26,28)
InChIKeyZZHMAWFCVUYNAR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.73
Rot. Bonds2

About CID 146324392

CID 146324392 (PubChem CID 146324392) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol.

Molecular Properties

Compound NameCID 146324392
PubChem CID146324392
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name—
SMILESC/N=C1/NC2(N=C1C)c1cc(-c3ccccc3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C25H29N3O/c1-17-23(26-2)28-25(27-17)22-15-19(18-7-5-4-6-8-18)9-10-20(22)16-24(25)13-11-21(29-3)12-14-24/h4-10,15,21H,11-14,16H2,1-3H3,(H,26,28)
InChIKeyZZHMAWFCVUYNAR-UHFFFAOYSA-N
XLogP4.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 146324392?
The IUPAC name of CID 146324392 (CID 146324392) is not available.
What is the SMILES notation for CID 146324392?
The canonical SMILES for CID 146324392 is C/N=C1/NC2(N=C1C)c1cc(-c3ccccc3)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 146324392?
The InChIKey is ZZHMAWFCVUYNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-23(26-2)28-25(27-17)22-15-19(18-7-5-4-6-8-18)9-10-20(22)16-24(25)13-11-21(29-3)12-14-24/h4-10,15,21H,11-14,16H2,1-3H3,(H,26,28).
What are the key properties of CID 146324392?
CID 146324392 has a molecular weight of 387.53 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146324392 is sourced from PubChem (CID 146324392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).