CID 4839291

C29H25N3O3 — CID 4839291

IUPAC—
SMILESCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccccc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C29H25N3O3/c1-17-9-7-13-20-24(17)31-27(35)29(20)28(19-12-5-6-14-21(19)30-26(28)34)23(22-15-8-16-32(22)29)25(33)18-10-3-2-4-11-18/h2-7,9-14,22-23H,8,15-16H2,1H3,(H,30,34)(H,31,35)
InChIKeyFZIFLTRWNWZNKI-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.01
Rot. Bonds2

About CID 4839291

CID 4839291 (PubChem CID 4839291) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol.

Molecular Properties

Compound NameCID 4839291
PubChem CID4839291
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC Name—
SMILESCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccccc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C29H25N3O3/c1-17-9-7-13-20-24(17)31-27(35)29(20)28(19-12-5-6-14-21(19)30-26(28)34)23(22-15-8-16-32(22)29)25(33)18-10-3-2-4-11-18/h2-7,9-14,22-23H,8,15-16H2,1H3,(H,30,34)(H,31,35)
InChIKeyFZIFLTRWNWZNKI-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 4839291?
The IUPAC name of CID 4839291 (CID 4839291) is not available.
What is the SMILES notation for CID 4839291?
The canonical SMILES for CID 4839291 is Cc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccccc2)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 4839291?
The InChIKey is FZIFLTRWNWZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c1-17-9-7-13-20-24(17)31-27(35)29(20)28(19-12-5-6-14-21(19)30-26(28)34)23(22-15-8-16-32(22)29)25(33)18-10-3-2-4-11-18/h2-7,9-14,22-23H,8,15-16H2,1H3,(H,30,34)(H,31,35).
What are the key properties of CID 4839291?
CID 4839291 has a molecular weight of 463.54 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4839291 is sourced from PubChem (CID 4839291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).