(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate

C19H17NO6 — CID 18076997

IUPAC(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCC(=O)Nc1ccc2c(COC(=O)c3cc(C)oc3C)cc(=O)oc2c1
InChIInChI=1S/C19H17NO6/c1-10-6-16(11(2)25-10)19(23)24-9-13-7-18(22)26-17-8-14(20-12(3)21)4-5-15(13)17/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyRZNTYRFMJDQGSX-UHFFFAOYSA-N
MW355.35 g/mol
LogP3.32
Rot. Bonds4

About (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate

(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 18076997) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID18076997
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate
SMILESCC(=O)Nc1ccc2c(COC(=O)c3cc(C)oc3C)cc(=O)oc2c1
InChIInChI=1S/C19H17NO6/c1-10-6-16(11(2)25-10)19(23)24-9-13-7-18(22)26-17-8-14(20-12(3)21)4-5-15(13)17/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyRZNTYRFMJDQGSX-UHFFFAOYSA-N
XLogP3.32
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-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

Related Compounds

(7-acetamido-2-oxochromen-4-yl)methyl 2-bromo-5-fluorobenzoate
CID 16565840
(7-acetamido-2-oxochromen-4-yl)methyl 4-tert-butylbenzoate
CID 46790353
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CID 42920985
(7-acetamido-2-oxochromen-4-yl)methyl 3,4-difluorobenzoate
CID 46816359
(7-acetamido-2-oxochromen-4-yl)methyl (2S,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 94741270
(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55643841
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-acetamido-4,5-dimethoxybenzoate
CID 41279689
(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002
(7-acetamido-2-oxochromen-4-yl)methyl 2-(4-ethoxyphenyl)acetate
CID 16506936
N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide
CID 11738812
(7-acetamido-2-oxochromen-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate
CID 2423244
(7-acetamido-2-oxochromen-4-yl)methyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
CID 42928948

Frequently Asked Questions

What is the IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate (CID 18076997) is (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate is CC(=O)Nc1ccc2c(COC(=O)c3cc(C)oc3C)cc(=O)oc2c1.
What is the InChIKey of (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is RZNTYRFMJDQGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-10-6-16(11(2)25-10)19(23)24-9-13-7-18(22)26-17-8-14(20-12(3)21)4-5-15(13)17/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate?
(7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-acetamido-2-oxochromen-4-yl)methyl 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 18076997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).