2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide

C22H26N6O3 — CID 55565798

IUPAC2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1
InChIInChI=1S/C22H26N6O3/c1-3-30-18-10-11-20(31-4-2)19(13-18)24-21(29)14-23-16-7-5-6-15(12-16)22-25-26-27-28(22)17-8-9-17/h5-7,10-13,17,23H,3-4,8-9,14H2,1-2H3,(H,24,29)
InChIKeyLUJWNPDJXPNPSP-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.52
Rot. Bonds10

About 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide (PubChem CID 55565798) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
PubChem CID55565798
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1
InChIInChI=1S/C22H26N6O3/c1-3-30-18-10-11-20(31-4-2)19(13-18)24-21(29)14-23-16-7-5-6-15(12-16)22-25-26-27-28(22)17-8-9-17/h5-7,10-13,17,23H,3-4,8-9,14H2,1-2H3,(H,24,29)
InChIKeyLUJWNPDJXPNPSP-UHFFFAOYSA-N
XLogP3.52
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55565210
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 55560646
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 24590722
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 39688585
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
CID 55500726
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-phenyl-N-propan-2-ylacetamide
CID 25332004
N-(2-cyano-3-methylbutan-2-yl)-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55560373

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide (CID 55565798) is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide is CCOc1ccc(OCC)c(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)c1.
What is the InChIKey of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide?
The InChIKey is LUJWNPDJXPNPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-3-30-18-10-11-20(31-4-2)19(13-18)24-21(29)14-23-16-7-5-6-15(12-16)22-25-26-27-28(22)17-8-9-17/h5-7,10-13,17,23H,3-4,8-9,14H2,1-2H3,(H,24,29).
What are the key properties of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide?
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide has a molecular weight of 422.49 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 55565798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).