tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate

C31H47NO9 — CID 177239913

IUPACtert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOCCOCCOCCOCCOCCO)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C31H47NO9/c1-31(2,3)41-30(34)32(25-28-10-7-11-29(24-28)40-26-27-8-5-4-6-9-27)12-14-35-16-18-37-20-22-39-23-21-38-19-17-36-15-13-33/h4-11,24,33H,12-23,25-26H2,1-3H3
InChIKeyKPZWGDYMMQHLMO-UHFFFAOYSA-N
MW577.72 g/mol
LogP4.08
Rot. Bonds22

About tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate

tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate (PubChem CID 177239913) has the molecular formula C31H47NO9 and a molecular weight of 577.72 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
PubChem CID177239913
Molecular FormulaC31H47NO9
Molecular Weight577.72 g/mol
Exact Mass577.33
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOCCOCCOCCOCCOCCO)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C31H47NO9/c1-31(2,3)41-30(34)32(25-28-10-7-11-29(24-28)40-26-27-8-5-4-6-9-27)12-14-35-16-18-37-20-22-39-23-21-38-19-17-36-15-13-33/h4-11,24,33H,12-23,25-26H2,1-3H3
InChIKeyKPZWGDYMMQHLMO-UHFFFAOYSA-N
XLogP4.08
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.72
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate (CID 177239913) is tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate is CC(C)(C)OC(=O)N(CCOCCOCCOCCOCCOCCO)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
The InChIKey is KPZWGDYMMQHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47NO9/c1-31(2,3)41-30(34)32(25-28-10-7-11-29(24-28)40-26-27-8-5-4-6-9-27)12-14-35-16-18-37-20-22-39-23-21-38-19-17-36-15-13-33/h4-11,24,33H,12-23,25-26H2,1-3H3.
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate has a molecular weight of 577.72 g/mol, XLogP of 4.08, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 177239913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).