benzhydryl N,N'-dicyclohexylcarbamimidate

C26H34N2O — CID 142630234

IUPACbenzhydryl N,N'-dicyclohexylcarbamimidate
SMILESc1ccc(C(O/C(=N/C2CCCCC2)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C26H34N2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)29-26(27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-25H,3-4,9-12,17-20H2,(H,27,28)
InChIKeyAICBCAPKQQIFCS-UHFFFAOYSA-N
MW390.57 g/mol
LogP6.40
Rot. Bonds5

About benzhydryl N,N'-dicyclohexylcarbamimidate

benzhydryl N,N'-dicyclohexylcarbamimidate (PubChem CID 142630234) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is benzhydryl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Namebenzhydryl N,N'-dicyclohexylcarbamimidate
PubChem CID142630234
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Namebenzhydryl N,N'-dicyclohexylcarbamimidate
SMILESc1ccc(C(O/C(=N/C2CCCCC2)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C26H34N2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)29-26(27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-25H,3-4,9-12,17-20H2,(H,27,28)
InChIKeyAICBCAPKQQIFCS-UHFFFAOYSA-N
XLogP6.40
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
(N,N'-dicyclohexylcarbamimidoyl) (2E)-2-(acetylhydrazinylidene)-2-phenylacetate
CID 6244861
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
benzhydryl cyclohexanecarboxylate
CID 11254888
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
aziridin-2-yl N,N'-dicyclohexylcarbamimidate
CID 170575324
1-(N,N'-dicyclohexylcarbamimidoyl)-N-[2-[[1-(N,N'-dicyclohexylcarbamimidoyl)pyrrolidine-2-carbonyl]amino]-1,2-diphenylethyl]pyrrolidine-2-carboxamide
CID 122384773
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
CID 90959885
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339

Frequently Asked Questions

What is the IUPAC name of benzhydryl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of benzhydryl N,N'-dicyclohexylcarbamimidate (CID 142630234) is benzhydryl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for benzhydryl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for benzhydryl N,N'-dicyclohexylcarbamimidate is c1ccc(C(O/C(=N/C2CCCCC2)NC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of benzhydryl N,N'-dicyclohexylcarbamimidate?
The InChIKey is AICBCAPKQQIFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)29-26(27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-25H,3-4,9-12,17-20H2,(H,27,28).
What are the key properties of benzhydryl N,N'-dicyclohexylcarbamimidate?
benzhydryl N,N'-dicyclohexylcarbamimidate has a molecular weight of 390.57 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 142630234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).