(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide

C17H17N5O3 — CID 862580

IUPAC(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cc(C[C@H](C(=O)Nc2ccccc2)c2nn[nH]n2)ccc1O
InChIInChI=1S/C17H17N5O3/c1-25-15-10-11(7-8-14(15)23)9-13(16-19-21-22-20-16)17(24)18-12-5-3-2-4-6-12/h2-8,10,13,23H,9H2,1H3,(H,18,24)(H,19,20,21,22)/t13-/m0/s1
InChIKeyZCYMIMLHWPHINR-ZDUSSCGKSA-N
MW339.36 g/mol
LogP1.88
Rot. Bonds6

About (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide

(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862580) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862580
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cc(C[C@H](C(=O)Nc2ccccc2)c2nn[nH]n2)ccc1O
InChIInChI=1S/C17H17N5O3/c1-25-15-10-11(7-8-14(15)23)9-13(16-19-21-22-20-16)17(24)18-12-5-3-2-4-6-12/h2-8,10,13,23H,9H2,1H3,(H,18,24)(H,19,20,21,22)/t13-/m0/s1
InChIKeyZCYMIMLHWPHINR-ZDUSSCGKSA-N
XLogP1.88
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
(2R)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174955
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3453758

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide (CID 862580) is (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide is COc1cc(C[C@H](C(=O)Nc2ccccc2)c2nn[nH]n2)ccc1O.
What is the InChIKey of (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is ZCYMIMLHWPHINR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-25-15-10-11(7-8-14(15)23)9-13(16-19-21-22-20-16)17(24)18-12-5-3-2-4-6-12/h2-8,10,13,23H,9H2,1H3,(H,18,24)(H,19,20,21,22)/t13-/m0/s1.
What are the key properties of (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 339.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).