tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate

C17H27NO5 — CID 58242020

IUPACtert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate
SMILESCO[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1OCCO
InChIInChI=1S/C17H27NO5/c1-17(2,3)23-16(20)18-12-14(21-4)11-13-7-5-6-8-15(13)22-10-9-19/h5-8,14,19H,9-12H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyYCZBCRMDXQTKEO-CQSZACIVSA-N
MW325.41 g/mol
LogP2.14
Rot. Bonds8

About tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate

tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate (PubChem CID 58242020) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate
PubChem CID58242020
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Nametert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate
SMILESCO[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1OCCO
InChIInChI=1S/C17H27NO5/c1-17(2,3)23-16(20)18-12-14(21-4)11-13-7-5-6-8-15(13)22-10-9-19/h5-8,14,19H,9-12H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyYCZBCRMDXQTKEO-CQSZACIVSA-N
XLogP2.14
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-3-(2-butoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
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3-[2-(2-ethoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54848011
tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
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tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
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tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
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tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
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2-amino-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
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tert-butyl N-[2-amino-3-(2-hydroxyphenyl)propyl]carbamate
CID 84729781

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate (CID 58242020) is tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate is CO[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1OCCO.
What is the InChIKey of tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate?
The InChIKey is YCZBCRMDXQTKEO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO5/c1-17(2,3)23-16(20)18-12-14(21-4)11-13-7-5-6-8-15(13)22-10-9-19/h5-8,14,19H,9-12H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate?
tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-3-[2-(2-hydroxyethoxy)phenyl]-2-methoxypropyl]carbamate is sourced from PubChem (CID 58242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).