2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide

C19H20N6O2 — CID 134020154

IUPAC2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C19H20N6O2/c1-27-17-9-5-14(6-10-17)21-18(26)12-20-15-4-2-3-13(11-15)19-22-23-24-25(19)16-7-8-16/h2-6,9-11,16,20H,7-8,12H2,1H3,(H,21,26)
InChIKeyAINFEYXGFRTXMF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.73
Rot. Bonds7

About 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide

2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide (PubChem CID 134020154) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
PubChem CID134020154
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)cc1
InChIInChI=1S/C19H20N6O2/c1-27-17-9-5-14(6-10-17)21-18(26)12-20-15-4-2-3-13(11-15)19-22-23-24-25(19)16-7-8-16/h2-6,9-11,16,20H,7-8,12H2,1H3,(H,21,26)
InChIKeyAINFEYXGFRTXMF-UHFFFAOYSA-N
XLogP2.73
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2,5-diethoxyphenyl)acetamide
CID 55565798
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
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55565210
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134020192
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
CID 55500726
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37228950
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 55560646

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide (CID 134020154) is 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2cccc(-c3nnnn3C3CC3)c2)cc1.
What is the InChIKey of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is AINFEYXGFRTXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-27-17-9-5-14(6-10-17)21-18(26)12-20-15-4-2-3-13(11-15)19-22-23-24-25(19)16-7-8-16/h2-6,9-11,16,20H,7-8,12H2,1H3,(H,21,26).
What are the key properties of 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide?
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 134020154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).