CID 4964597

C31H29N3O3 — CID 4964597

IUPAC—
SMILESCc1ccc(C(=O)C2C3CCCN3C3(C(=O)Nc4c(C)cc(C)cc43)C23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C31H29N3O3/c1-17-10-12-20(13-11-17)27(35)25-24-9-6-14-34(24)31(22-16-18(2)15-19(3)26(22)33-29(31)37)30(25)21-7-4-5-8-23(21)32-28(30)36/h4-5,7-8,10-13,15-16,24-25H,6,9,14H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyNWZOJQQDEHLRJJ-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.63
Rot. Bonds2

About CID 4964597

CID 4964597 (PubChem CID 4964597) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol.

Molecular Properties

Compound NameCID 4964597
PubChem CID4964597
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC Name—
SMILESCc1ccc(C(=O)C2C3CCCN3C3(C(=O)Nc4c(C)cc(C)cc43)C23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C31H29N3O3/c1-17-10-12-20(13-11-17)27(35)25-24-9-6-14-34(24)31(22-16-18(2)15-19(3)26(22)33-29(31)37)30(25)21-7-4-5-8-23(21)32-28(30)36/h4-5,7-8,10-13,15-16,24-25H,6,9,14H2,1-3H3,(H,32,36)(H,33,37)
InChIKeyNWZOJQQDEHLRJJ-UHFFFAOYSA-N
XLogP4.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 4964597?
The IUPAC name of CID 4964597 (CID 4964597) is not available.
What is the SMILES notation for CID 4964597?
The canonical SMILES for CID 4964597 is Cc1ccc(C(=O)C2C3CCCN3C3(C(=O)Nc4c(C)cc(C)cc43)C23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of CID 4964597?
The InChIKey is NWZOJQQDEHLRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-17-10-12-20(13-11-17)27(35)25-24-9-6-14-34(24)31(22-16-18(2)15-19(3)26(22)33-29(31)37)30(25)21-7-4-5-8-23(21)32-28(30)36/h4-5,7-8,10-13,15-16,24-25H,6,9,14H2,1-3H3,(H,32,36)(H,33,37).
What are the key properties of CID 4964597?
CID 4964597 has a molecular weight of 491.59 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4964597 is sourced from PubChem (CID 4964597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).