N-cyclohexyl-4-oxochromene-3-carboxamide

C16H17NO3 — CID 52913781

IUPACN-cyclohexyl-4-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,19)
InChIKeyMSXWVKUAVJKWRK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.86
Rot. Bonds2

About N-cyclohexyl-4-oxochromene-3-carboxamide

N-cyclohexyl-4-oxochromene-3-carboxamide (PubChem CID 52913781) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-cyclohexyl-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxochromene-3-carboxamide
PubChem CID52913781
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-cyclohexyl-4-oxochromene-3-carboxamide
SMILESO=C(NC1CCCCC1)c1coc2ccccc2c1=O
InChIInChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,19)
InChIKeyMSXWVKUAVJKWRK-UHFFFAOYSA-N
XLogP2.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-oxochromene-3-carboxamide (CID 52913781) is N-cyclohexyl-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-oxochromene-3-carboxamide is O=C(NC1CCCCC1)c1coc2ccccc2c1=O.
What is the InChIKey of N-cyclohexyl-4-oxochromene-3-carboxamide?
The InChIKey is MSXWVKUAVJKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15-12-8-4-5-9-14(12)20-10-13(15)16(19)17-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,19).
What are the key properties of N-cyclohexyl-4-oxochromene-3-carboxamide?
N-cyclohexyl-4-oxochromene-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxochromene-3-carboxamide is sourced from PubChem (CID 52913781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).