2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate

C19H32N2O6 — CID 118435267

IUPAC2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCOCCOCCOc1ccc(N)cc1
InChIInChI=1S/C19H32N2O6/c1-19(2,3)21-18(22)27-15-13-25-11-9-23-8-10-24-12-14-26-17-6-4-16(20)5-7-17/h4-7H,8-15,20H2,1-3H3,(H,21,22)
InChIKeyGFCFQWXCOSQJMH-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.22
Rot. Bonds13

About 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate

2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate (PubChem CID 118435267) has the molecular formula C19H32N2O6 and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
PubChem CID118435267
Molecular FormulaC19H32N2O6
Molecular Weight384.47 g/mol
Exact Mass384.23
IUPAC Name2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCOCCOCCOCCOc1ccc(N)cc1
InChIInChI=1S/C19H32N2O6/c1-19(2,3)21-18(22)27-15-13-25-11-9-23-8-10-24-12-14-26-17-6-4-16(20)5-7-17/h4-7H,8-15,20H2,1-3H3,(H,21,22)
InChIKeyGFCFQWXCOSQJMH-UHFFFAOYSA-N
XLogP2.22
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
3-(4-aminophenyl)butyl N-tert-butylcarbamate
CID 175312760
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
2-(4-aminophenoxy)ethyl 2,2,2-trifluoroacetate
CID 84816936
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate (CID 118435267) is 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCOCCOCCOCCOc1ccc(N)cc1.
What is the InChIKey of 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
The InChIKey is GFCFQWXCOSQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O6/c1-19(2,3)21-18(22)27-15-13-25-11-9-23-8-10-24-12-14-26-17-6-4-16(20)5-7-17/h4-7H,8-15,20H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate?
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate has a molecular weight of 384.47 g/mol, XLogP of 2.22, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 118435267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).