CID 57409168

C22H27NO4 — CID 57409168

IUPAC—
SMILESCC1=Nc2ccccc2C2(O1)OC1(CCCCC1)C1(CCCCC1)OC2=O
InChIInChI=1S/C22H27NO4/c1-16-23-18-11-5-4-10-17(18)22(25-16)19(24)26-20(12-6-2-7-13-20)21(27-22)14-8-3-9-15-21/h4-5,10-11H,2-3,6-9,12-15H2,1H3
InChIKeyTUFLMTCECRIFFL-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.90
Rot. Bonds

About CID 57409168

CID 57409168 (PubChem CID 57409168) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol.

Molecular Properties

Compound NameCID 57409168
PubChem CID57409168
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name—
SMILESCC1=Nc2ccccc2C2(O1)OC1(CCCCC1)C1(CCCCC1)OC2=O
InChIInChI=1S/C22H27NO4/c1-16-23-18-11-5-4-10-17(18)22(25-16)19(24)26-20(12-6-2-7-13-20)21(27-22)14-8-3-9-15-21/h4-5,10-11H,2-3,6-9,12-15H2,1H3
InChIKeyTUFLMTCECRIFFL-UHFFFAOYSA-N
XLogP4.90
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 57409168?
The IUPAC name of CID 57409168 (CID 57409168) is not available.
What is the SMILES notation for CID 57409168?
The canonical SMILES for CID 57409168 is CC1=Nc2ccccc2C2(O1)OC1(CCCCC1)C1(CCCCC1)OC2=O.
What is the InChIKey of CID 57409168?
The InChIKey is TUFLMTCECRIFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16-23-18-11-5-4-10-17(18)22(25-16)19(24)26-20(12-6-2-7-13-20)21(27-22)14-8-3-9-15-21/h4-5,10-11H,2-3,6-9,12-15H2,1H3.
What are the key properties of CID 57409168?
CID 57409168 has a molecular weight of 369.46 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57409168 is sourced from PubChem (CID 57409168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).