(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C18H19N5O2 — CID 124851461

IUPAC(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C18H19N5O2/c24-12-16(11-14-7-3-1-4-8-14)20-18(25)17(23-13-19-21-22-23)15-9-5-2-6-10-15/h1-10,13,16-17,24H,11-12H2,(H,20,25)/t16-,17+/m1/s1
InChIKeySIZLWKXRZGPBFG-SJORKVTESA-N
MW337.38 g/mol
LogP0.98
Rot. Bonds7

About (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 124851461) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID124851461
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(N[C@@H](CO)Cc1ccccc1)[C@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C18H19N5O2/c24-12-16(11-14-7-3-1-4-8-14)20-18(25)17(23-13-19-21-22-23)15-9-5-2-6-10-15/h1-10,13,16-17,24H,11-12H2,(H,20,25)/t16-,17+/m1/s1
InChIKeySIZLWKXRZGPBFG-SJORKVTESA-N
XLogP0.98
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 124850563
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 109479307
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
tert-butyl N-[2-[[(2R)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]ethyl]carbamate
CID 97266583
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266135
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 124851461) is (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(N[C@@H](CO)Cc1ccccc1)[C@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is SIZLWKXRZGPBFG-SJORKVTESA-N. The full InChI is InChI=1S/C18H19N5O2/c24-12-16(11-14-7-3-1-4-8-14)20-18(25)17(23-13-19-21-22-23)15-9-5-2-6-10-15/h1-10,13,16-17,24H,11-12H2,(H,20,25)/t16-,17+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
(2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 124851461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).