2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide

C19H22N6O2 — CID 1146774

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H22N6O2/c1-4-27-17-11-7-15(8-12-17)20-18(26)13-25-22-19(21-23-25)14-5-9-16(10-6-14)24(2)3/h5-12H,4,13H2,1-3H3,(H,20,26)
InChIKeyVRZNOPDZZLNRQN-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.44
Rot. Bonds7

About 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1146774) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID1146774
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C19H22N6O2/c1-4-27-17-11-7-15(8-12-17)20-18(26)13-25-22-19(21-23-25)14-5-9-16(10-6-14)24(2)3/h5-12H,4,13H2,1-3H3,(H,20,26)
InChIKeyVRZNOPDZZLNRQN-UHFFFAOYSA-N
XLogP2.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 1136557
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
N-(2,6-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 1136561
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
ethyl 4-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1266768
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860890
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
CID 3136442
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
CID 3188668

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide (CID 1146774) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2nnc(-c3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is VRZNOPDZZLNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-27-17-11-7-15(8-12-17)20-18(26)13-25-22-19(21-23-25)14-5-9-16(10-6-14)24(2)3/h5-12H,4,13H2,1-3H3,(H,20,26).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1146774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).