benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate

C18H28N2O4 — CID 58275737

IUPACbenzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate
SMILESNCCOC1(OCCNC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C18H28N2O4/c19-11-13-23-18(9-5-2-6-10-18)24-14-12-20-17(21)22-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15,19H2,(H,20,21)
InChIKeyWERVRZASJLNYRS-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.57
Rot. Bonds9

About benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate

benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate (PubChem CID 58275737) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate
PubChem CID58275737
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Namebenzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate
SMILESNCCOC1(OCCNC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C18H28N2O4/c19-11-13-23-18(9-5-2-6-10-18)24-14-12-20-17(21)22-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15,19H2,(H,20,21)
InChIKeyWERVRZASJLNYRS-UHFFFAOYSA-N
XLogP2.57
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740
benzyl N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate;tetrakis(carbon dioxide);ethane-1,2-diamine;oxolane
CID 159435883
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(piperidin-1-ylmethyl)carbamate
CID 22375295
benzyl N-[3-(1-aminocyclopropyl)propyl]carbamate
CID 168763212
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate?
The IUPAC name of benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate (CID 58275737) is benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate?
The canonical SMILES for benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate is NCCOC1(OCCNC(=O)OCc2ccccc2)CCCCC1.
What is the InChIKey of benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate?
The InChIKey is WERVRZASJLNYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c19-11-13-23-18(9-5-2-6-10-18)24-14-12-20-17(21)22-15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15,19H2,(H,20,21).
What are the key properties of benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate?
benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate has a molecular weight of 336.43 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[1-(2-aminoethoxy)cyclohexyl]oxyethyl]carbamate is sourced from PubChem (CID 58275737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).