N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide

C13H18N6O — CID 110499370

IUPACN-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2nn[nH]n2)cc1
InChIInChI=1S/C13H18N6O/c1-3-19(4-2)11-7-5-10(6-8-11)14-13(20)9-12-15-17-18-16-12/h5-8H,3-4,9H2,1-2H3,(H,14,20)(H,15,16,17,18)
InChIKeyILZLECUTWUWYBG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.23
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499370) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499370
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2nn[nH]n2)cc1
InChIInChI=1S/C13H18N6O/c1-3-19(4-2)11-7-5-10(6-8-11)14-13(20)9-12-15-17-18-16-12/h5-8H,3-4,9H2,1-2H3,(H,14,20)(H,15,16,17,18)
InChIKeyILZLECUTWUWYBG-UHFFFAOYSA-N
XLogP1.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499477
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-(2H-tetrazol-5-yl)acetamide
CID 5456992
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
CID 110674963
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
CID 110772496
[4-(diethylamino)phenyl]urea;hydrochloride
CID 140506859

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide (CID 110499370) is N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cc2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is ILZLECUTWUWYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-19(4-2)11-7-5-10(6-8-11)14-13(20)9-12-15-17-18-16-12/h5-8H,3-4,9H2,1-2H3,(H,14,20)(H,15,16,17,18).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 274.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).