2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide

C20H22N6O — CID 50778531

IUPAC2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1
InChIInChI=1S/C20H22N6O/c1-15-6-2-3-7-16(15)12-20(27)22-18-13-17(26-14-21-23-24-26)8-9-19(18)25-10-4-5-11-25/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H,22,27)
InChIKeyCBKIXCGKZXYACD-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide

2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 50778531) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID50778531
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1
InChIInChI=1S/C20H22N6O/c1-15-6-2-3-7-16(15)12-20(27)22-18-13-17(26-14-21-23-24-26)8-9-19(18)25-10-4-5-11-25/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H,22,27)
InChIKeyCBKIXCGKZXYACD-UHFFFAOYSA-N
XLogP2.75
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]propanamide
CID 50777059
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 50776994
2-(3-methoxyphenyl)-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide
CID 50777039
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019
N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]cyclohexanecarboxamide
CID 50778527
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 865674
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide (CID 50778531) is 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide is Cc1ccccc1CC(=O)Nc1cc(-n2cnnn2)ccc1N1CCCC1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is CBKIXCGKZXYACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-6-2-3-7-16(15)12-20(27)22-18-13-17(26-14-21-23-24-26)8-9-19(18)25-10-4-5-11-25/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H,22,27).
What are the key properties of 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide?
2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 50778531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).