(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C18H19N5O2 — CID 51981117

IUPAC(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H19N5O2/c1-2-25-17-11-7-6-10-15(17)20-18(24)16(23-13-19-21-22-23)12-14-8-4-3-5-9-14/h3-11,13,16H,2,12H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyCPVNJEBBQFXCIW-INIZCTEOSA-N
MW337.38 g/mol
LogP2.49
Rot. Bonds7

About (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51981117) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51981117
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H19N5O2/c1-2-25-17-11-7-6-10-15(17)20-18(24)16(23-13-19-21-22-23)12-14-8-4-3-5-9-14/h3-11,13,16H,2,12H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyCPVNJEBBQFXCIW-INIZCTEOSA-N
XLogP2.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 2591223
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
CID 74661614
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149
N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51260416
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
(2S)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052009
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 23375160
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51981117) is (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is CPVNJEBBQFXCIW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-17-11-7-6-10-15(17)20-18(24)16(23-13-19-21-22-23)12-14-8-4-3-5-9-14/h3-11,13,16H,2,12H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51981117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).