CID 4964266

C31H29N3O4 — CID 4964266

IUPAC—
SMILESCOc1ccccc1C(=O)C1C2CCCN2C2(C(=O)Nc3c2ccc(C)c3C)C12C(=O)Nc1ccccc12
InChIInChI=1S/C31H29N3O4/c1-17-14-15-21-26(18(17)2)33-29(37)31(21)30(20-10-5-6-11-22(20)32-28(30)36)25(23-12-8-16-34(23)31)27(35)19-9-4-7-13-24(19)38-3/h4-7,9-11,13-15,23,25H,8,12,16H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyIENFCJWKWCGXOO-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.33
Rot. Bonds3

About CID 4964266

CID 4964266 (PubChem CID 4964266) has the molecular formula C31H29N3O4 and a molecular weight of 507.59 g/mol.

Molecular Properties

Compound NameCID 4964266
PubChem CID4964266
Molecular FormulaC31H29N3O4
Molecular Weight507.59 g/mol
Exact Mass507.22
IUPAC Name—
SMILESCOc1ccccc1C(=O)C1C2CCCN2C2(C(=O)Nc3c2ccc(C)c3C)C12C(=O)Nc1ccccc12
InChIInChI=1S/C31H29N3O4/c1-17-14-15-21-26(18(17)2)33-29(37)31(21)30(20-10-5-6-11-22(20)32-28(30)36)25(23-12-8-16-34(23)31)27(35)19-9-4-7-13-24(19)38-3/h4-7,9-11,13-15,23,25H,8,12,16H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyIENFCJWKWCGXOO-UHFFFAOYSA-N
XLogP4.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 4964266?
The IUPAC name of CID 4964266 (CID 4964266) is not available.
What is the SMILES notation for CID 4964266?
The canonical SMILES for CID 4964266 is COc1ccccc1C(=O)C1C2CCCN2C2(C(=O)Nc3c2ccc(C)c3C)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 4964266?
The InChIKey is IENFCJWKWCGXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O4/c1-17-14-15-21-26(18(17)2)33-29(37)31(21)30(20-10-5-6-11-22(20)32-28(30)36)25(23-12-8-16-34(23)31)27(35)19-9-4-7-13-24(19)38-3/h4-7,9-11,13-15,23,25H,8,12,16H2,1-3H3,(H,32,36)(H,33,37).
What are the key properties of CID 4964266?
CID 4964266 has a molecular weight of 507.59 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4964266 is sourced from PubChem (CID 4964266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).