benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium

C24H30N3O+ — CID 9494211

IUPACbenzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium
SMILESCN(C(=O)C[NH+](C)C(c1ccccc1)c1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C24H29N3O/c1-26(18-22(28)27(2)24(19-25)16-10-5-11-17-24)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,23H,5,10-11,16-18H2,1-2H3/p+1
InChIKeyNSHPJBDOMNOZNR-UHFFFAOYSA-O
MW376.52 g/mol
LogP2.98
Rot. Bonds6

About benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium

benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium (PubChem CID 9494211) has the molecular formula C24H30N3O+ and a molecular weight of 376.52 g/mol. Its IUPAC name is benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namebenzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium
PubChem CID9494211
Molecular FormulaC24H30N3O+
Molecular Weight376.52 g/mol
Exact Mass376.24
IUPAC Namebenzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium
SMILESCN(C(=O)C[NH+](C)C(c1ccccc1)c1ccccc1)C1(C#N)CCCCC1
InChIInChI=1S/C24H29N3O/c1-26(18-22(28)27(2)24(19-25)16-10-5-11-17-24)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,23H,5,10-11,16-18H2,1-2H3/p+1
InChIKeyNSHPJBDOMNOZNR-UHFFFAOYSA-O
XLogP2.98
TPSA48.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248524
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7459337
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 7697673
N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide
CID 110025058
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 26569678
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 7861010
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60572836
N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 51261752
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide
CID 7458761
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 31098743

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium (CID 9494211) is benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium is CN(C(=O)C[NH+](C)C(c1ccccc1)c1ccccc1)C1(C#N)CCCCC1.
What is the InChIKey of benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is NSHPJBDOMNOZNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N3O/c1-26(18-22(28)27(2)24(19-25)16-10-5-11-17-24)23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-4,6-9,12-15,23H,5,10-11,16-18H2,1-2H3/p+1.
What are the key properties of benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium?
benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 376.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9494211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).