3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide

C28H32N4O2 — CID 91016091

IUPAC3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide
SMILESCc1ccc(-c2cc(NCC(=O)C3CCCCC3)cc(C(=O)NC(C)c3cnccn3)c2)cc1
InChIInChI=1S/C28H32N4O2/c1-19-8-10-21(11-9-19)23-14-24(28(34)32-20(2)26-17-29-12-13-30-26)16-25(15-23)31-18-27(33)22-6-4-3-5-7-22/h8-17,20,22,31H,3-7,18H2,1-2H3,(H,32,34)
InChIKeySFUGJUZZSZPCQB-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.50
Rot. Bonds8

About 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide

3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide (PubChem CID 91016091) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide
PubChem CID91016091
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide
SMILESCc1ccc(-c2cc(NCC(=O)C3CCCCC3)cc(C(=O)NC(C)c3cnccn3)c2)cc1
InChIInChI=1S/C28H32N4O2/c1-19-8-10-21(11-9-19)23-14-24(28(34)32-20(2)26-17-29-12-13-30-26)16-25(15-23)31-18-27(33)22-6-4-3-5-7-22/h8-17,20,22,31H,3-7,18H2,1-2H3,(H,32,34)
InChIKeySFUGJUZZSZPCQB-UHFFFAOYSA-N
XLogP5.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 91300009
3-(4-methylphenyl)-5-(2-oxoindol-3-yl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 141281225
5-(4-chlorophenyl)-3-N-(1-pyrazin-2-ylethyl)benzene-1,3-dicarboxamide
CID 68779214
3-(4-methylphenyl)-5-(8-oxo-7H-purin-9-yl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 59627747
3-(5-methyl-2-pyridinyl)-5-(1,3-oxazol-2-yl)-N-[(1R)-1-pyrazin-2-ylethyl]benzamide
CID 70809971
3-cyclohexyl-5-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide
CID 58449362
3-(4-ethyl-2-oxopyrrolidin-3-yl)-5-(5-methyl-2-pyridinyl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 141281204
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 166579002
N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
CID 67511647
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
3-azido-5-(azidomethyl)-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 167871877
3-(3-cyclopentylprop-2-enylsulfonyl)-5-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 175286106

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide?
The IUPAC name of 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide (CID 91016091) is 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide.
What is the SMILES notation for 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide?
The canonical SMILES for 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide is Cc1ccc(-c2cc(NCC(=O)C3CCCCC3)cc(C(=O)NC(C)c3cnccn3)c2)cc1.
What is the InChIKey of 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide?
The InChIKey is SFUGJUZZSZPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-8-10-21(11-9-19)23-14-24(28(34)32-20(2)26-17-29-12-13-30-26)16-25(15-23)31-18-27(33)22-6-4-3-5-7-22/h8-17,20,22,31H,3-7,18H2,1-2H3,(H,32,34).
What are the key properties of 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide?
3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide has a molecular weight of 456.59 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide is sourced from PubChem (CID 91016091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).