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

C17H17N5O — CID 110720294

IUPAC3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H17N5O/c1-12-5-2-3-6-13(12)9-10-16(23)18-15-8-4-7-14(11-15)17-19-21-22-20-17/h2-8,11H,9-10H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeySMKAPCFRNDFQGV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.75
Rot. Bonds5

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

3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 110720294) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID110720294
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H17N5O/c1-12-5-2-3-6-13(12)9-10-16(23)18-15-8-4-7-14(11-15)17-19-21-22-20-17/h2-8,11H,9-10H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeySMKAPCFRNDFQGV-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
CID 62365496
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 110720294) is 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is Cc1ccccc1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is SMKAPCFRNDFQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-5-2-3-6-13(12)9-10-16(23)18-15-8-4-7-14(11-15)17-19-21-22-20-17/h2-8,11H,9-10H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 307.36 g/mol, XLogP of 2.75, 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-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 110720294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).