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

C25H35NO6 — CID 168818010

IUPACtert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOCCOCCO)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H35NO6/c1-25(2,3)32-24(28)26(12-14-29-16-17-30-15-13-27)19-22-10-7-11-23(18-22)31-20-21-8-5-4-6-9-21/h4-11,18,27H,12-17,19-20H2,1-3H3
InChIKeyVQPWHEDMJQNYOO-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.03
Rot. Bonds13

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

tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate (PubChem CID 168818010) has the molecular formula C25H35NO6 and a molecular weight of 445.56 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
PubChem CID168818010
Molecular FormulaC25H35NO6
Molecular Weight445.56 g/mol
Exact Mass445.25
IUPAC Nametert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCOCCOCCO)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H35NO6/c1-25(2,3)32-24(28)26(12-14-29-16-17-30-15-13-27)19-22-10-7-11-23(18-22)31-20-21-8-5-4-6-9-21/h4-11,18,27H,12-17,19-20H2,1-3H3
InChIKeyVQPWHEDMJQNYOO-UHFFFAOYSA-N
XLogP4.03
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate
CID 177239913
tert-butyl 3-[2-[2-[2-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172946115
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 18933288
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-(3-oxopropyl)-N-[(3-phenoxyphenyl)methyl]carbamate
CID 156706671
tert-butyl N-[(3-bromo-5-phenylmethoxyphenyl)methyl]-N-ethylcarbamate
CID 176508288
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
2-[3-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]acetic acid
CID 155669783
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate (CID 168818010) is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate is CC(C)(C)OC(=O)N(CCOCCOCCO)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
The InChIKey is VQPWHEDMJQNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO6/c1-25(2,3)32-24(28)26(12-14-29-16-17-30-15-13-27)19-22-10-7-11-23(18-22)31-20-21-8-5-4-6-9-21/h4-11,18,27H,12-17,19-20H2,1-3H3.
What are the key properties of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate?
tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate has a molecular weight of 445.56 g/mol, XLogP of 4.03, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[(3-phenylmethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 168818010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).