tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate

C17H27NO5 — CID 86645501

IUPACtert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOC(CO)COCc1ccccc1
InChIInChI=1S/C17H27NO5/c1-17(2,3)23-16(20)18-9-10-22-15(11-19)13-21-12-14-7-5-4-6-8-14/h4-8,15,19H,9-13H2,1-3H3,(H,18,20)
InChIKeyLRCAZNQJKBSZAV-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.11
Rot. Bonds9

About tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate

tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate (PubChem CID 86645501) has the molecular formula C17H27NO5 and a molecular weight of 325.40 g/mol. Its IUPAC name is tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
PubChem CID86645501
Molecular FormulaC17H27NO5
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Nametert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOC(CO)COCc1ccccc1
InChIInChI=1S/C17H27NO5/c1-17(2,3)23-16(20)18-9-10-22-15(11-19)13-21-12-14-7-5-4-6-8-14/h4-8,15,19H,9-13H2,1-3H3,(H,18,20)
InChIKeyLRCAZNQJKBSZAV-UHFFFAOYSA-N
XLogP2.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl N-(2-phenylmethoxyethyl)carbamate
CID 160954727
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
tert-butyl N-[3-(3-phenylmethoxypropoxy)propyl]carbamate
CID 154638931
tert-butyl N-[(2S,3R)-3-fluoro-2-hydroxy-4-phenylmethoxybutyl]carbamate
CID 140879382
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
tert-butyl N-[2-(1-hydroxy-3-phenylpropoxy)ethyl]carbamate
CID 71219268
tert-butyl N-[2-[[4-(hydroxymethyl)phenyl]methoxy]ethyl]carbamate
CID 172597356
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 150014551
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxybutanoic acid
CID 121366415
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate (CID 86645501) is tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOC(CO)COCc1ccccc1.
What is the InChIKey of tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate?
The InChIKey is LRCAZNQJKBSZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-17(2,3)23-16(20)18-9-10-22-15(11-19)13-21-12-14-7-5-4-6-8-14/h4-8,15,19H,9-13H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate?
tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate has a molecular weight of 325.40 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-hydroxy-3-phenylmethoxypropan-2-yl)oxyethyl]carbamate is sourced from PubChem (CID 86645501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).