N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide

C17H17N5O — CID 84602572

IUPACN-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCc1ccccc1NC(=O)C(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-12-8-6-7-11-15(12)18-17(23)13(2)22-20-16(19-21-22)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,18,23)
InChIKeyAVIIXVLGUVOXMO-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.85
Rot. Bonds4

About N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide

N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide (PubChem CID 84602572) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
PubChem CID84602572
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
SMILESCc1ccccc1NC(=O)C(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-12-8-6-7-11-15(12)18-17(23)13(2)22-20-16(19-21-22)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,18,23)
InChIKeyAVIIXVLGUVOXMO-UHFFFAOYSA-N
XLogP2.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 31458753
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
(2S)-N-[5-ethyl-1-(2-methylpropyl)pyrazol-4-yl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 97059058
(2S)-2-(5-phenyltetrazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95782037
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide?
The IUPAC name of N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide (CID 84602572) is N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide?
The canonical SMILES for N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide is Cc1ccccc1NC(=O)C(C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide?
The InChIKey is AVIIXVLGUVOXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-8-6-7-11-15(12)18-17(23)13(2)22-20-16(19-21-22)14-9-4-3-5-10-14/h3-11,13H,1-2H3,(H,18,23).
What are the key properties of N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide?
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide has a molecular weight of 307.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide is sourced from PubChem (CID 84602572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).