CID 89283438

C24H29BN2O3 — CID 89283438

IUPAC—
SMILES[B]c1cccc2c1c(C(=O)NCC13CC4CC(CC(C4)C1)C3)cn2CC1(O)COC1
InChIInChI=1S/C24H29BN2O3/c25-19-2-1-3-20-21(19)18(10-27(20)12-24(29)13-30-14-24)22(28)26-11-23-7-15-4-16(8-23)6-17(5-15)9-23/h1-3,10,15-17,29H,4-9,11-14H2,(H,26,28)
InChIKeyKIEAHZUHFLHFHZ-UHFFFAOYSA-N
MW404.32 g/mol
LogP2.14
Rot. Bonds5

About CID 89283438

CID 89283438 (PubChem CID 89283438) has the molecular formula C24H29BN2O3 and a molecular weight of 404.32 g/mol.

Molecular Properties

Compound NameCID 89283438
PubChem CID89283438
Molecular FormulaC24H29BN2O3
Molecular Weight404.32 g/mol
Exact Mass404.23
IUPAC Name—
SMILES[B]c1cccc2c1c(C(=O)NCC13CC4CC(CC(C4)C1)C3)cn2CC1(O)COC1
InChIInChI=1S/C24H29BN2O3/c25-19-2-1-3-20-21(19)18(10-27(20)12-24(29)13-30-14-24)22(28)26-11-23-7-15-4-16(8-23)6-17(5-15)9-23/h1-3,10,15-17,29H,4-9,11-14H2,(H,26,28)
InChIKeyKIEAHZUHFLHFHZ-UHFFFAOYSA-N
XLogP2.14
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89283438?
The IUPAC name of CID 89283438 (CID 89283438) is not available.
What is the SMILES notation for CID 89283438?
The canonical SMILES for CID 89283438 is [B]c1cccc2c1c(C(=O)NCC13CC4CC(CC(C4)C1)C3)cn2CC1(O)COC1.
What is the InChIKey of CID 89283438?
The InChIKey is KIEAHZUHFLHFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BN2O3/c25-19-2-1-3-20-21(19)18(10-27(20)12-24(29)13-30-14-24)22(28)26-11-23-7-15-4-16(8-23)6-17(5-15)9-23/h1-3,10,15-17,29H,4-9,11-14H2,(H,26,28).
What are the key properties of CID 89283438?
CID 89283438 has a molecular weight of 404.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89283438 is sourced from PubChem (CID 89283438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).