N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide

C16H21N5O3 — CID 30295515

IUPACN-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H21N5O3/c1-23-13-6-8-14(9-7-13)24-11-16(22)17-10-15-18-19-20-21(15)12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,22)
InChIKeyZOEIKICKYSWACO-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.49
Rot. Bonds7

About N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide

N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 30295515) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID30295515
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2nnnn2C2CCCC2)cc1
InChIInChI=1S/C16H21N5O3/c1-23-13-6-8-14(9-7-13)24-11-16(22)17-10-15-18-19-20-21(15)12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,22)
InChIKeyZOEIKICKYSWACO-UHFFFAOYSA-N
XLogP1.49
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3228988
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51244829
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 30295473
ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 3702393
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 42884380
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
CID 30295899

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide (CID 30295515) is N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCc2nnnn2C2CCCC2)cc1.
What is the InChIKey of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is ZOEIKICKYSWACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-13-6-8-14(9-7-13)24-11-16(22)17-10-15-18-19-20-21(15)12-4-2-3-5-12/h6-9,12H,2-5,10-11H2,1H3,(H,17,22).
What are the key properties of N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 30295515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).