N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide

C25H28N4O2 — CID 22057992

IUPACN-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C25H28N4O2/c1-17-7-10-20(28-24(30)12-8-18-5-3-2-4-6-18)16-22(17)29-25(31)19-9-11-21-23(15-19)27-14-13-26-21/h7,9-11,13-16,18H,2-6,8,12H2,1H3,(H,28,30)(H,29,31)
InChIKeyWDJKIEYAKBVLHL-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.49
Rot. Bonds6

About N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide

N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide (PubChem CID 22057992) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
PubChem CID22057992
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide
SMILESCc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C25H28N4O2/c1-17-7-10-20(28-24(30)12-8-18-5-3-2-4-6-18)16-22(17)29-25(31)19-9-11-21-23(15-19)27-14-13-26-21/h7,9-11,13-16,18H,2-6,8,12H2,1H3,(H,28,30)(H,29,31)
InChIKeyWDJKIEYAKBVLHL-UHFFFAOYSA-N
XLogP5.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
CID 10500851
N-[5-[(2-aminoacetyl)amino]-2-methylphenyl]-3-cyclohexylpropanamide
CID 39192508
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(5-acetamido-2-methylphenyl)-4-cyclohexylbutanamide
CID 46454647
5-(3-cyclohexylpropanoylamino)-2-methylbenzoyl chloride
CID 10781094
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
N-[5-(2-cyclohexylethoxymethylamino)-2-methylphenyl]benzamide
CID 18343685
4-[3-(3-cyclohexylpropanoylamino)anilino]-3-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295606
5-(3-cyclopentylpropanoylamino)-2-methyl-N-[2-(methylamino)pyrimidin-5-yl]benzamide
CID 71215207
N-(3-benzamido-4-methylphenyl)quinoline-7-carboxamide
CID 58842913
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide (CID 22057992) is N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide is Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide?
The InChIKey is WDJKIEYAKBVLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-7-10-20(28-24(30)12-8-18-5-3-2-4-6-18)16-22(17)29-25(31)19-9-11-21-23(15-19)27-14-13-26-21/h7,9-11,13-16,18H,2-6,8,12H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide?
N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 22057992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).