2-phenylethyl N,N'-dicyclohexylcarbamimidate

C21H32N2O — CID 11727199

IUPAC2-phenylethyl N,N'-dicyclohexylcarbamimidate
SMILESc1ccc(CCO/C(=N\C2CCCCC2)NC2CCCCC2)cc1
InChIInChI=1S/C21H32N2O/c1-4-10-18(11-5-1)16-17-24-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,22,23)
InChIKeyBJHBNKLGOIXHRF-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.86
Rot. Bonds5

About 2-phenylethyl N,N'-dicyclohexylcarbamimidate

2-phenylethyl N,N'-dicyclohexylcarbamimidate (PubChem CID 11727199) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-phenylethyl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name2-phenylethyl N,N'-dicyclohexylcarbamimidate
PubChem CID11727199
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name2-phenylethyl N,N'-dicyclohexylcarbamimidate
SMILESc1ccc(CCO/C(=N\C2CCCCC2)NC2CCCCC2)cc1
InChIInChI=1S/C21H32N2O/c1-4-10-18(11-5-1)16-17-24-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,22,23)
InChIKeyBJHBNKLGOIXHRF-UHFFFAOYSA-N
XLogP4.86
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.86
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

(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
4-hydroxybutyl N,N'-dicyclohexylcarbamimidate
CID 10935348
benzhydryl N,N'-dicyclohexylcarbamimidate
CID 142630234
(benzylideneamino) N,N'-dicyclohexylcarbamimidate
CID 91602803
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
CID 90959885
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
3-phenylpropyl 4-(cyclohexylamino)-4-oxobutanoate
CID 4779106
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of 2-phenylethyl N,N'-dicyclohexylcarbamimidate (CID 11727199) is 2-phenylethyl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for 2-phenylethyl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for 2-phenylethyl N,N'-dicyclohexylcarbamimidate is c1ccc(CCO/C(=N\C2CCCCC2)NC2CCCCC2)cc1.
What is the InChIKey of 2-phenylethyl N,N'-dicyclohexylcarbamimidate?
The InChIKey is BJHBNKLGOIXHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-4-10-18(11-5-1)16-17-24-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2,(H,22,23).
What are the key properties of 2-phenylethyl N,N'-dicyclohexylcarbamimidate?
2-phenylethyl N,N'-dicyclohexylcarbamimidate has a molecular weight of 328.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 11727199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).