N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C20H22N6O2 — CID 55400343

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H22N6O2/c1-15-11-16(25-9-2-3-10-25)7-8-19(15)22-20(27)13-28-18-6-4-5-17(12-18)26-14-21-23-24-26/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,22,27)
InChIKeySVTRRHRSLGTAEC-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.59
Rot. Bonds6

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 55400343) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID55400343
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C20H22N6O2/c1-15-11-16(25-9-2-3-10-25)7-8-19(15)22-20(27)13-28-18-6-4-5-17(12-18)26-14-21-23-24-26/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,22,27)
InChIKeySVTRRHRSLGTAEC-UHFFFAOYSA-N
XLogP2.59
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
N-(2,3-dimethylphenyl)-2-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]acetamide
CID 7768966
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 865674
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
N-(2-chloro-3-pyridinyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768398
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769056
N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-[2-(difluoromethoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768469
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 55400343) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is SVTRRHRSLGTAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-11-16(25-9-2-3-10-25)7-8-19(15)22-20(27)13-28-18-6-4-5-17(12-18)26-14-21-23-24-26/h4-8,11-12,14H,2-3,9-10,13H2,1H3,(H,22,27).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 55400343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).