ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

C18H19NO4 — CID 2767703

IUPACethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)16-14(11-7-4-3-5-8-11)15-12(20)9-6-10-13(15)23-17(16)19/h3-5,7-8,14H,2,6,9-10,19H2,1H3
InChIKeyQXZCEKVRMZMOKL-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.54
Rot. Bonds3

About ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate (PubChem CID 2767703) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
PubChem CID2767703
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)16-14(11-7-4-3-5-8-11)15-12(20)9-6-10-13(15)23-17(16)19/h3-5,7-8,14H,2,6,9-10,19H2,1H3
InChIKeyQXZCEKVRMZMOKL-UHFFFAOYSA-N
XLogP2.54
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate 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 ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate (CID 2767703) is ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1.
What is the InChIKey of ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate?
The InChIKey is QXZCEKVRMZMOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-22-18(21)16-14(11-7-4-3-5-8-11)15-12(20)9-6-10-13(15)23-17(16)19/h3-5,7-8,14H,2,6,9-10,19H2,1H3.
What are the key properties of ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate?
ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate is sourced from PubChem (CID 2767703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).