(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C17H17N5O2 — CID 71828617

IUPAC(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1ccc(O)cc1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H17N5O2/c23-15-8-6-13(7-9-15)10-11-18-17(24)16(22-12-19-20-21-22)14-4-2-1-3-5-14/h1-9,12,16,23H,10-11H2,(H,18,24)/t16-/m0/s1
InChIKeyVBYKAPAEQOTPJH-INIZCTEOSA-N
MW323.36 g/mol
LogP1.33
Rot. Bonds6

About (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 71828617) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID71828617
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1ccc(O)cc1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H17N5O2/c23-15-8-6-13(7-9-15)10-11-18-17(24)16(22-12-19-20-21-22)14-4-2-1-3-5-14/h1-9,12,16,23H,10-11H2,(H,18,24)/t16-/m0/s1
InChIKeyVBYKAPAEQOTPJH-INIZCTEOSA-N
XLogP1.33
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71829057
(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-pyrrol-1-ylacetamide
CID 121240272
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71709673
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91773967
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
(2S)-2-phenyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71829715

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 71828617) is (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NCCc1ccc(O)cc1)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is VBYKAPAEQOTPJH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-15-8-6-13(7-9-15)10-11-18-17(24)16(22-12-19-20-21-22)14-4-2-1-3-5-14/h1-9,12,16,23H,10-11H2,(H,18,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71828617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).