3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide

C17H17N5O — CID 3170996

IUPAC3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(CC(C(=O)Nc2ccccc2)c2nn[nH]n2)c1
InChIInChI=1S/C17H17N5O/c1-12-6-5-7-13(10-12)11-15(16-19-21-22-20-16)17(23)18-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyIKZRGQQVVWKSND-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.47
Rot. Bonds5

About 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide

3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3170996) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3170996
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(CC(C(=O)Nc2ccccc2)c2nn[nH]n2)c1
InChIInChI=1S/C17H17N5O/c1-12-6-5-7-13(10-12)11-15(16-19-21-22-20-16)17(23)18-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyIKZRGQQVVWKSND-UHFFFAOYSA-N
XLogP2.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862525
(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862515
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862517
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2S)-3-(3-methylphenyl)-N-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119925
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
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
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide (CID 3170996) is 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide is Cc1cccc(CC(C(=O)Nc2ccccc2)c2nn[nH]n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is IKZRGQQVVWKSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-6-5-7-13(10-12)11-15(16-19-21-22-20-16)17(23)18-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide?
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 307.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3170996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).