N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide

C17H19NO3 — CID 15996026

IUPACN-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide
SMILESCN(C(=O)c1coc(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H19NO3/c1-18(12-7-3-2-4-8-12)16(19)15-11-21-17(20)14-10-6-5-9-13(14)15/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyCIAUTNAMQQIGOY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.20
Rot. Bonds2

About N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide

N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide (PubChem CID 15996026) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide
PubChem CID15996026
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide
SMILESCN(C(=O)c1coc(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H19NO3/c1-18(12-7-3-2-4-8-12)16(19)15-11-21-17(20)14-10-6-5-9-13(14)15/h5-6,9-12H,2-4,7-8H2,1H3
InChIKeyCIAUTNAMQQIGOY-UHFFFAOYSA-N
XLogP3.20
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide (CID 15996026) is N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide is CN(C(=O)c1coc(=O)c2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide?
The InChIKey is CIAUTNAMQQIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(12-7-3-2-4-8-12)16(19)15-11-21-17(20)14-10-6-5-9-13(14)15/h5-6,9-12H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide?
N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 15996026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).