2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide

C20H18N2O4 — CID 15991604

IUPAC2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
SMILESCCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C(C)=O)cc3)oc12
InChIInChI=1S/C20H18N2O4/c1-3-25-17-6-4-5-14-11-16(19(21)24)20(26-18(14)17)22-15-9-7-13(8-10-15)12(2)23/h4-11H,3H2,1-2H3,(H2,21,24)/b22-20-
InChIKeyAHPHZURAIZQEFM-XDOYNYLZSA-N
MW350.37 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide

2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide (PubChem CID 15991604) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
PubChem CID15991604
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
SMILESCCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C(C)=O)cc3)oc12
InChIInChI=1S/C20H18N2O4/c1-3-25-17-6-4-5-14-11-16(19(21)24)20(26-18(14)17)22-15-9-7-13(8-10-15)12(2)23/h4-11H,3H2,1-2H3,(H2,21,24)/b22-20-
InChIKeyAHPHZURAIZQEFM-XDOYNYLZSA-N
XLogP3.37
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide?
The IUPAC name of 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide (CID 15991604) is 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide.
What is the SMILES notation for 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide?
The canonical SMILES for 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide is CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C(C)=O)cc3)oc12.
What is the InChIKey of 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide?
The InChIKey is AHPHZURAIZQEFM-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-25-17-6-4-5-14-11-16(19(21)24)20(26-18(14)17)22-15-9-7-13(8-10-15)12(2)23/h4-11H,3H2,1-2H3,(H2,21,24)/b22-20-.
What are the key properties of 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide?
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide is sourced from PubChem (CID 15991604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).