2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate

C17H27NO4 — CID 90840160

IUPAC2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)OCCOCc1ccccc1
InChIInChI=1S/C17H27NO4/c1-14(12-22-16(19)18-17(2,3)4)21-11-10-20-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,18,19)
InChIKeyIIEWXIIROADTOT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds8

About 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate

2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate (PubChem CID 90840160) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
PubChem CID90840160
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
SMILESCC(COC(=O)NC(C)(C)C)OCCOCc1ccccc1
InChIInChI=1S/C17H27NO4/c1-14(12-22-16(19)18-17(2,3)4)21-11-10-20-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,18,19)
InChIKeyIIEWXIIROADTOT-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
CID 175303197
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
4-(2-phenylmethoxyethoxy)pentyl carbamate
CID 175093685
3,3-dimethyl-2-(2-phenylmethoxyethoxy)butanoic acid
CID 67216614
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate
CID 135206134
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
2-methoxypropyl N-tert-butylcarbamate
CID 174838814

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate?
The IUPAC name of 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate (CID 90840160) is 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate?
The canonical SMILES for 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate is CC(COC(=O)NC(C)(C)C)OCCOCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate?
The InChIKey is IIEWXIIROADTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-14(12-22-16(19)18-17(2,3)4)21-11-10-20-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate?
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate has a molecular weight of 309.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate is sourced from PubChem (CID 90840160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).