3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide

C12H15N5O — CID 62366415

IUPAC3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCc1ccccc1CCC(=O)NCc1nn[nH]n1
InChIInChI=1S/C12H15N5O/c1-9-4-2-3-5-10(9)6-7-12(18)13-8-11-14-16-17-15-11/h2-5H,6-8H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyXNGRMJOPCVPCML-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.76
Rot. Bonds5

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

3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide (PubChem CID 62366415) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
PubChem CID62366415
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCc1ccccc1CCC(=O)NCc1nn[nH]n1
InChIInChI=1S/C12H15N5O/c1-9-4-2-3-5-10(9)6-7-12(18)13-8-11-14-16-17-15-11/h2-5H,6-8H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyXNGRMJOPCVPCML-UHFFFAOYSA-N
XLogP0.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
CID 66186748
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide (CID 62366415) is 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide is Cc1ccccc1CCC(=O)NCc1nn[nH]n1.
What is the InChIKey of 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide?
The InChIKey is XNGRMJOPCVPCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-4-2-3-5-10(9)6-7-12(18)13-8-11-14-16-17-15-11/h2-5H,6-8H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide?
3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide has a molecular weight of 245.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 62366415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).