tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate

C17H25N5O4 — CID 175114027

IUPACtert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CC(NC(=O)OC(C)(C)C)c2nnn(CCO)n2)cc1
InChIInChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)18-14(15-19-21-22(20-15)9-10-23)11-12-5-7-13(25-4)8-6-12/h5-8,14,23H,9-11H2,1-4H3,(H,18,24)
InChIKeyNWGOKBXNYNPXAL-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.48
Rot. Bonds7

About tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate

tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 175114027) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID175114027
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CC(NC(=O)OC(C)(C)C)c2nnn(CCO)n2)cc1
InChIInChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)18-14(15-19-21-22(20-15)9-10-23)11-12-5-7-13(25-4)8-6-12/h5-8,14,23H,9-11H2,1-4H3,(H,18,24)
InChIKeyNWGOKBXNYNPXAL-UHFFFAOYSA-N
XLogP1.48
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamate
CID 135255289
tert-butyl N-[(1S)-1-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-(4-methoxyphenyl)ethyl]carbamate
CID 135255185
[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid
CID 135238859
[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid
CID 135239060
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
ethyl 2-[3-[(1S)-2-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-oxadiazol-5-yl]acetate
CID 135255098
(3S)-4-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 14410547
tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
methyl (3S)-4-[4-(4-methoxyphenyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101408029
tert-butyl N-[1-[5-bromo-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]carbamate
CID 77201543
tert-butyl N-[1-(4-methoxyphenyl)-4-oxobutan-2-yl]carbamate
CID 73030796
tert-butyl N-[1-(4-methoxyphenyl)-3-oxopent-4-yn-2-yl]carbamate
CID 145193446

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate (CID 175114027) is tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate is COc1ccc(CC(NC(=O)OC(C)(C)C)c2nnn(CCO)n2)cc1.
What is the InChIKey of tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is NWGOKBXNYNPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-17(2,3)26-16(24)18-14(15-19-21-22(20-15)9-10-23)11-12-5-7-13(25-4)8-6-12/h5-8,14,23H,9-11H2,1-4H3,(H,18,24).
What are the key properties of tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate?
tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 363.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 175114027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).