N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide

C17H17N5O — CID 9117476

IUPACN-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5O/c23-17(12-22-13-18-20-21-22)19-16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,19,23)/t16-/m0/s1
InChIKeyGAYNQZSPUZUICW-INIZCTEOSA-N
MW307.36 g/mol
LogP1.77
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide

N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 9117476) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID9117476
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N5O/c23-17(12-22-13-18-20-21-22)19-16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,19,23)/t16-/m0/s1
InChIKeyGAYNQZSPUZUICW-INIZCTEOSA-N
XLogP1.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
CID 60548183
ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
CID 95275372
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
N-[(1R)-1,2-diphenylethyl]-4-(tetrazol-1-yl)benzamide
CID 41131633
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098761
methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 71685310

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide (CID 9117476) is N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is GAYNQZSPUZUICW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(12-22-13-18-20-21-22)19-16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2,(H,19,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide?
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 9117476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).