CID 57409056

C19H21NO3 — CID 57409056

IUPAC—
SMILESCC(=O)N1C(=O)C2(OC3(CC3)C23CCCCC3)c2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(21)20-15-8-4-3-7-14(15)19(16(20)22)17(9-5-2-6-10-17)18(23-19)11-12-18/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyCXRJLJAXQIPDNI-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.29
Rot. Bonds

About CID 57409056

CID 57409056 (PubChem CID 57409056) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol.

Molecular Properties

Compound NameCID 57409056
PubChem CID57409056
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name—
SMILESCC(=O)N1C(=O)C2(OC3(CC3)C23CCCCC3)c2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(21)20-15-8-4-3-7-14(15)19(16(20)22)17(9-5-2-6-10-17)18(23-19)11-12-18/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyCXRJLJAXQIPDNI-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 57409056?
The IUPAC name of CID 57409056 (CID 57409056) is not available.
What is the SMILES notation for CID 57409056?
The canonical SMILES for CID 57409056 is CC(=O)N1C(=O)C2(OC3(CC3)C23CCCCC3)c2ccccc21.
What is the InChIKey of CID 57409056?
The InChIKey is CXRJLJAXQIPDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(21)20-15-8-4-3-7-14(15)19(16(20)22)17(9-5-2-6-10-17)18(23-19)11-12-18/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of CID 57409056?
CID 57409056 has a molecular weight of 311.38 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57409056 is sourced from PubChem (CID 57409056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).