N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C25H31N3O2 — CID 50754249

IUPACN-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
SMILESCc1cccc(CN2CCCN(c3ccc(C(=O)NC4CCCCC4)cc3)C2=O)c1
InChIInChI=1S/C25H31N3O2/c1-19-7-5-8-20(17-19)18-27-15-6-16-28(25(27)30)23-13-11-21(12-14-23)24(29)26-22-9-3-2-4-10-22/h5,7-8,11-14,17,22H,2-4,6,9-10,15-16,18H2,1H3,(H,26,29)
InChIKeyRBYDGNCTQXEUFY-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.89
Rot. Bonds5

About N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50754249) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
PubChem CID50754249
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
SMILESCc1cccc(CN2CCCN(c3ccc(C(=O)NC4CCCCC4)cc3)C2=O)c1
InChIInChI=1S/C25H31N3O2/c1-19-7-5-8-20(17-19)18-27-15-6-16-28(25(27)30)23-13-11-21(12-14-23)24(29)26-22-9-3-2-4-10-22/h5,7-8,11-14,17,22H,2-4,6,9-10,15-16,18H2,1H3,(H,26,29)
InChIKeyRBYDGNCTQXEUFY-UHFFFAOYSA-N
XLogP4.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814002
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 71955366
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
N-(2-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814175
N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50814193
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
N-cyclopropyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034567
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332426

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?
The IUPAC name of N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50754249) is N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is Cc1cccc(CN2CCCN(c3ccc(C(=O)NC4CCCCC4)cc3)C2=O)c1.
What is the InChIKey of N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?
The InChIKey is RBYDGNCTQXEUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-7-5-8-20(17-19)18-27-15-6-16-28(25(27)30)23-13-11-21(12-14-23)24(29)26-22-9-3-2-4-10-22/h5,7-8,11-14,17,22H,2-4,6,9-10,15-16,18H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?
N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 405.54 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50754249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).