2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate

C22H37ClN2O7 — CID 172504544

IUPAC2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCCCCCCl)OCCOCCOCCOc1ccncc1
InChIInChI=1S/C22H37ClN2O7/c23-7-3-1-2-4-11-27-13-14-28-12-10-25-22(26)32-20-18-30-16-15-29-17-19-31-21-5-8-24-9-6-21/h5-6,8-9H,1-4,7,10-20H2,(H,25,26)
InChIKeyMLDUYYSLGOJYDD-UHFFFAOYSA-N
MW477.00 g/mol
LogP3.05
Rot. Bonds22

About 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate

2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate (PubChem CID 172504544) has the molecular formula C22H37ClN2O7 and a molecular weight of 477.00 g/mol. Its IUPAC name is 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
PubChem CID172504544
Molecular FormulaC22H37ClN2O7
Molecular Weight477.00 g/mol
Exact Mass476.23
IUPAC Name2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCCCCCCl)OCCOCCOCCOc1ccncc1
InChIInChI=1S/C22H37ClN2O7/c23-7-3-1-2-4-11-27-13-14-28-12-10-25-22(26)32-20-18-30-16-15-29-17-19-31-21-5-8-24-9-6-21/h5-6,8-9H,1-4,7,10-20H2,(H,25,26)
InChIKeyMLDUYYSLGOJYDD-UHFFFAOYSA-N
XLogP3.05
TPSA97.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.00
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]-4-pyridinyl]oxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate
CID 171721139
butyl 3-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyloxy]ethoxy]ethoxy]propanoate
CID 146552245
2-[2-[4-[2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]ethoxy]phenyl]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118331491
tert-butyl N-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170540588
2-(5-chloropentoxy)ethoxybenzene
CID 43348433
2-[2-[2-[2-(3,5-dichlorophenoxy)ethoxy]ethoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 57069602
[(Z)-4-(4-nitrophenoxy)carbonyloxybut-2-enyl] 4-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyloxy]ethoxy]ethoxy]butanoate
CID 157460426
[(Z)-4-[4-[2-[2-(4-nitrophenoxy)carbonyloxyethoxy]ethoxy]butanoyloxy]but-2-enyl] 4-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylcarbamoyloxy]ethoxy]ethoxy]butanoate
CID 148680259
2-[2-[2-[2-(12-sulfanyldodecoxy)ethoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 88972229
2-[2-(12-sulfanyldodecoxy)ethoxy]ethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 59867057
N-[2-[2-(7-chloroheptoxy)ethoxy]ethyl]-6-(dimethylamino)naphthalene-2-carboxamide
CID 102440670
2-[2-[4-(4-aminobutyl)phenoxy]ethoxy]ethyl 6-[2-[2-[4-(4-aminobutyl)phenoxy]ethoxy]ethoxycarbonylamino]hexanoate
CID 157398979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate?
The IUPAC name of 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate (CID 172504544) is 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate is O=C(NCCOCCOCCCCCCCl)OCCOCCOCCOc1ccncc1.
What is the InChIKey of 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate?
The InChIKey is MLDUYYSLGOJYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37ClN2O7/c23-7-3-1-2-4-11-27-13-14-28-12-10-25-22(26)32-20-18-30-16-15-29-17-19-31-21-5-8-24-9-6-21/h5-6,8-9H,1-4,7,10-20H2,(H,25,26).
What are the key properties of 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate?
2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate has a molecular weight of 477.00 g/mol, XLogP of 3.05, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-4-yloxyethoxy)ethoxy]ethyl N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 172504544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).