1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide

C17H23N5O3 — CID 118763273

IUPAC1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCn3cnnn3)CCCC2)cc1OC
InChIInChI=1S/C17H23N5O3/c1-24-14-6-5-13(11-15(14)25-2)17(7-3-4-8-17)16(23)18-9-10-22-12-19-20-21-22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,23)
InChIKeyDAOAWADSWGTBMS-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.32
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide

1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 118763273) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID118763273
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NCCn3cnnn3)CCCC2)cc1OC
InChIInChI=1S/C17H23N5O3/c1-24-14-6-5-13(11-15(14)25-2)17(7-3-4-8-17)16(23)18-9-10-22-12-19-20-21-22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,23)
InChIKeyDAOAWADSWGTBMS-UHFFFAOYSA-N
XLogP1.32
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylsulfonylphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 118761633
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
1-(3,4-dimethoxyphenyl)-N-(3-formamidopropyl)cyclopropane-1-carboxamide
CID 110436752
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113198580
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(3,4-dimethoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 110438052
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide (CID 118763273) is 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NCCn3cnnn3)CCCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DAOAWADSWGTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-14-6-5-13(11-15(14)25-2)17(7-3-4-8-17)16(23)18-9-10-22-12-19-20-21-22/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,23).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[2-(tetrazol-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 118763273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).