CID 4898241

C34H29N3O3 — CID 4898241

IUPAC—
SMILESCCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C34H29N3O3/c1-2-20-13-16-27-25(18-20)34(32(40)36-27)33(24-10-5-6-11-26(24)35-31(33)39)29(28-12-7-17-37(28)34)30(38)23-15-14-21-8-3-4-9-22(21)19-23/h3-6,8-11,13-16,18-19,28-29H,2,7,12,17H2,1H3,(H,35,39)(H,36,40)
InChIKeyDEXFPUZLJYSAEO-UHFFFAOYSA-N
MW527.62 g/mol
LogP5.42
Rot. Bonds3

About CID 4898241

CID 4898241 (PubChem CID 4898241) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol.

Molecular Properties

Compound NameCID 4898241
PubChem CID4898241
Molecular FormulaC34H29N3O3
Molecular Weight527.62 g/mol
Exact Mass527.22
IUPAC Name—
SMILESCCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C34H29N3O3/c1-2-20-13-16-27-25(18-20)34(32(40)36-27)33(24-10-5-6-11-26(24)35-31(33)39)29(28-12-7-17-37(28)34)30(38)23-15-14-21-8-3-4-9-22(21)19-23/h3-6,8-11,13-16,18-19,28-29H,2,7,12,17H2,1H3,(H,35,39)(H,36,40)
InChIKeyDEXFPUZLJYSAEO-UHFFFAOYSA-N
XLogP5.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 4898241?
The IUPAC name of CID 4898241 (CID 4898241) is not available.
What is the SMILES notation for CID 4898241?
The canonical SMILES for CID 4898241 is CCc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 4898241?
The InChIKey is DEXFPUZLJYSAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O3/c1-2-20-13-16-27-25(18-20)34(32(40)36-27)33(24-10-5-6-11-26(24)35-31(33)39)29(28-12-7-17-37(28)34)30(38)23-15-14-21-8-3-4-9-22(21)19-23/h3-6,8-11,13-16,18-19,28-29H,2,7,12,17H2,1H3,(H,35,39)(H,36,40).
What are the key properties of CID 4898241?
CID 4898241 has a molecular weight of 527.62 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4898241 is sourced from PubChem (CID 4898241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).