2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

C22H24N2O2 — CID 2849105

IUPAC2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1C1CCCCC1
InChIInChI=1S/C22H24N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-12,24H2
InChIKeyUTMRMZKAQQUIPH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.31
Rot. Bonds2

About 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 2849105) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID2849105
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1C1CCCCC1
InChIInChI=1S/C22H24N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-12,24H2
InChIKeyUTMRMZKAQQUIPH-UHFFFAOYSA-N
XLogP4.31
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 2849105) is 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1C1CCCCC1.
What is the InChIKey of 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is UTMRMZKAQQUIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c23-13-17-20(15-9-5-2-6-10-15)21-18(25)11-16(12-19(21)26-22(17)24)14-7-3-1-4-8-14/h1,3-4,7-8,15-16,20H,2,5-6,9-12,24H2.
What are the key properties of 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 348.45 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexyl-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 2849105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).