N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide

C17H19NO3 — CID 2400619

IUPACN-(cyclohexylmethyl)-4-oxochromene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20)
InChIKeyZNVNVRHEGZKDAE-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.10
Rot. Bonds3

About N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide

N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide (PubChem CID 2400619) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-oxochromene-2-carboxamide
PubChem CID2400619
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(cyclohexylmethyl)-4-oxochromene-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20)
InChIKeyZNVNVRHEGZKDAE-UHFFFAOYSA-N
XLogP3.10
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide (CID 2400619) is N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide is O=C(NCC1CCCCC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide?
The InChIKey is ZNVNVRHEGZKDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20).
What are the key properties of N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide?
N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2400619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).