2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide

C16H19NO4 — CID 5263456

IUPAC2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NC(C)C)c(=O)oc2c1
InChIInChI=1S/C16H19NO4/c1-4-7-20-12-6-5-11-8-13(15(18)17-10(2)3)16(19)21-14(11)9-12/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyCDRWEJWHJHWXSV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.72
Rot. Bonds5

About 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide

2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide (PubChem CID 5263456) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide
PubChem CID5263456
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)NC(C)C)c(=O)oc2c1
InChIInChI=1S/C16H19NO4/c1-4-7-20-12-6-5-11-8-13(15(18)17-10(2)3)16(19)21-14(11)9-12/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyCDRWEJWHJHWXSV-UHFFFAOYSA-N
XLogP2.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide?
The IUPAC name of 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide (CID 5263456) is 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide is CCCOc1ccc2cc(C(=O)NC(C)C)c(=O)oc2c1.
What is the InChIKey of 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide?
The InChIKey is CDRWEJWHJHWXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-7-20-12-6-5-11-8-13(15(18)17-10(2)3)16(19)21-14(11)9-12/h5-6,8-10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide?
2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-7-propoxychromene-3-carboxamide is sourced from PubChem (CID 5263456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).