benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C18H30N2O6 — CID 162341693

IUPACbenzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESNCCOCCOCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H30N2O6/c19-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20-18(21)26-16-17-4-2-1-3-5-17/h1-5H,6-16,19H2,(H,20,21)
InChIKeyVMYGZFURGHNADC-UHFFFAOYSA-N
MW370.45 g/mol
LogP0.94
Rot. Bonds16

About benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 162341693) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID162341693
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Namebenzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESNCCOCCOCCOCCOCCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H30N2O6/c19-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20-18(21)26-16-17-4-2-1-3-5-17/h1-5H,6-16,19H2,(H,20,21)
InChIKeyVMYGZFURGHNADC-UHFFFAOYSA-N
XLogP0.94
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
benzyl N-[2-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170898622
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
tert-butyl 2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetate
CID 11325667
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-[2-(2-hydroxyethylamino)oxyethyl]carbamate
CID 89049973
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
benzyl N-[2-(2-piperazin-1-ylethoxy)ethyl]carbamate
CID 138695504
benzyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170563898

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 162341693) is benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is NCCOCCOCCOCCOCCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is VMYGZFURGHNADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O6/c19-6-8-22-10-12-24-14-15-25-13-11-23-9-7-20-18(21)26-16-17-4-2-1-3-5-17/h1-5H,6-16,19H2,(H,20,21).
What are the key properties of benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 0.94, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 162341693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).