N-cycloheptyl-2-oxochromene-3-carboxamide

C17H19NO3 — CID 898402

IUPACN-cycloheptyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO3/c19-16(18-13-8-3-1-2-4-9-13)14-11-12-7-5-6-10-15(12)21-17(14)20/h5-7,10-11,13H,1-4,8-9H2,(H,18,19)
InChIKeyDICPBNJUOYJRQQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.25
Rot. Bonds2

About N-cycloheptyl-2-oxochromene-3-carboxamide

N-cycloheptyl-2-oxochromene-3-carboxamide (PubChem CID 898402) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-cycloheptyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-oxochromene-3-carboxamide
PubChem CID898402
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-cycloheptyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO3/c19-16(18-13-8-3-1-2-4-9-13)14-11-12-7-5-6-10-15(12)21-17(14)20/h5-7,10-11,13H,1-4,8-9H2,(H,18,19)
InChIKeyDICPBNJUOYJRQQ-UHFFFAOYSA-N
XLogP3.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-2-oxochromene-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 N-cycloheptyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-oxochromene-3-carboxamide (CID 898402) is N-cycloheptyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-oxochromene-3-carboxamide is O=C(NC1CCCCCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-cycloheptyl-2-oxochromene-3-carboxamide?
The InChIKey is DICPBNJUOYJRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16(18-13-8-3-1-2-4-9-13)14-11-12-7-5-6-10-15(12)21-17(14)20/h5-7,10-11,13H,1-4,8-9H2,(H,18,19).
What are the key properties of N-cycloheptyl-2-oxochromene-3-carboxamide?
N-cycloheptyl-2-oxochromene-3-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 898402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).