1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide

C16H19NO3 — CID 3073401

IUPAC1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide
SMILESCC(C)N(C(=O)c1coc(=O)c2ccccc12)C(C)C
InChIInChI=1S/C16H19NO3/c1-10(2)17(11(3)4)15(18)14-9-20-16(19)13-8-6-5-7-12(13)14/h5-11H,1-4H3
InChIKeyVEYJMZVGJUOZQX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds3

About 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide

1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide (PubChem CID 3073401) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide.

Molecular Properties

Compound Name1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide
PubChem CID3073401
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide
SMILESCC(C)N(C(=O)c1coc(=O)c2ccccc12)C(C)C
InChIInChI=1S/C16H19NO3/c1-10(2)17(11(3)4)15(18)14-9-20-16(19)13-8-6-5-7-12(13)14/h5-11H,1-4H3
InChIKeyVEYJMZVGJUOZQX-UHFFFAOYSA-N
XLogP3.05
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-oxo-N,N-di(propan-2-yl)isochromene-4-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 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide?
The IUPAC name of 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide (CID 3073401) is 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide.
What is the SMILES notation for 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide?
The canonical SMILES for 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide is CC(C)N(C(=O)c1coc(=O)c2ccccc12)C(C)C.
What is the InChIKey of 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide?
The InChIKey is VEYJMZVGJUOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)17(11(3)4)15(18)14-9-20-16(19)13-8-6-5-7-12(13)14/h5-11H,1-4H3.
What are the key properties of 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide?
1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N,N-di(propan-2-yl)isochromene-4-carboxamide is sourced from PubChem (CID 3073401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).