benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate

C18H28N2O3 — CID 66564308

IUPACbenzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
SMILESCCN(CCO)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-20(12-13-21)17-10-8-16(9-11-17)19-18(22)23-14-15-6-4-3-5-7-15/h3-7,16-17,21H,2,8-14H2,1H3,(H,19,22)
InChIKeyVTXBOHJYLGVMGC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.54
Rot. Bonds7

About benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate

benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate (PubChem CID 66564308) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
PubChem CID66564308
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
SMILESCCN(CCO)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-20(12-13-21)17-10-8-16(9-11-17)19-18(22)23-14-15-6-4-3-5-7-15/h3-7,16-17,21H,2,8-14H2,1H3,(H,19,22)
InChIKeyVTXBOHJYLGVMGC-UHFFFAOYSA-N
XLogP2.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
CID 157386360
benzyl N-[4-[2-aminoethyl(propan-2-yl)amino]cyclohexyl]carbamate
CID 66564369
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
benzyl N-[4-[(2-amino-3-methylbutanoyl)-methylamino]cyclohexyl]carbamate
CID 77143795
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate (CID 66564308) is benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate is CCN(CCO)C1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate?
The InChIKey is VTXBOHJYLGVMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-20(12-13-21)17-10-8-16(9-11-17)19-18(22)23-14-15-6-4-3-5-7-15/h3-7,16-17,21H,2,8-14H2,1H3,(H,19,22).
What are the key properties of benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate?
benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 66564308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).