8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide

C17H21NO4 — CID 72715372

IUPAC8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide
SMILESCCCCOc1cccc2cc(C(=O)NC(C)C)c(=O)oc12
InChIInChI=1S/C17H21NO4/c1-4-5-9-21-14-8-6-7-12-10-13(16(19)18-11(2)3)17(20)22-15(12)14/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyVCZQESXCRUNCBJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.11
Rot. Bonds6

About 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide

8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide (PubChem CID 72715372) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide
PubChem CID72715372
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide
SMILESCCCCOc1cccc2cc(C(=O)NC(C)C)c(=O)oc12
InChIInChI=1S/C17H21NO4/c1-4-5-9-21-14-8-6-7-12-10-13(16(19)18-11(2)3)17(20)22-15(12)14/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyVCZQESXCRUNCBJ-UHFFFAOYSA-N
XLogP3.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide 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 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide?
The IUPAC name of 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide (CID 72715372) is 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide.
What is the SMILES notation for 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide?
The canonical SMILES for 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide is CCCCOc1cccc2cc(C(=O)NC(C)C)c(=O)oc12.
What is the InChIKey of 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide?
The InChIKey is VCZQESXCRUNCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-4-5-9-21-14-8-6-7-12-10-13(16(19)18-11(2)3)17(20)22-15(12)14/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide?
8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butoxy-2-oxo-N-propan-2-ylchromene-3-carboxamide is sourced from PubChem (CID 72715372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).