CID 153405106

C20H21N2O3 — CID 153405106

IUPAC—
SMILESC=C/C(C)=C1/N=C(C(=O)NC(CC(=O)OC)c2ccccc2)[CH]C1=C
InChIInChI=1S/C20H21N2O3/c1-5-13(2)19-14(3)11-17(21-19)20(24)22-16(12-18(23)25-4)15-9-7-6-8-10-15/h5-11,16H,1,3,12H2,2,4H3,(H,22,24)/b19-13+
InChIKeyVZSQKNMPHHTPPZ-CPNJWEJPSA-N
MW337.40 g/mol
LogP3.08
Rot. Bonds6

About CID 153405106

CID 153405106 (PubChem CID 153405106) has the molecular formula C20H21N2O3 and a molecular weight of 337.40 g/mol.

Molecular Properties

Compound NameCID 153405106
PubChem CID153405106
Molecular FormulaC20H21N2O3
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name—
SMILESC=C/C(C)=C1/N=C(C(=O)NC(CC(=O)OC)c2ccccc2)[CH]C1=C
InChIInChI=1S/C20H21N2O3/c1-5-13(2)19-14(3)11-17(21-19)20(24)22-16(12-18(23)25-4)15-9-7-6-8-10-15/h5-11,16H,1,3,12H2,2,4H3,(H,22,24)/b19-13+
InChIKeyVZSQKNMPHHTPPZ-CPNJWEJPSA-N
XLogP3.08
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 153405106 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 153405106?
The IUPAC name of CID 153405106 (CID 153405106) is not available.
What is the SMILES notation for CID 153405106?
The canonical SMILES for CID 153405106 is C=C/C(C)=C1/N=C(C(=O)NC(CC(=O)OC)c2ccccc2)[CH]C1=C.
What is the InChIKey of CID 153405106?
The InChIKey is VZSQKNMPHHTPPZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H21N2O3/c1-5-13(2)19-14(3)11-17(21-19)20(24)22-16(12-18(23)25-4)15-9-7-6-8-10-15/h5-11,16H,1,3,12H2,2,4H3,(H,22,24)/b19-13+.
What are the key properties of CID 153405106?
CID 153405106 has a molecular weight of 337.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153405106 is sourced from PubChem (CID 153405106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).