N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide

C13H18N6O — CID 78776629

IUPACN-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H18N6O/c1-3-18(4-2)12-7-5-11(6-8-12)15-13(20)9-19-10-14-16-17-19/h5-8,10H,3-4,9H2,1-2H3,(H,15,20)
InChIKeyOINZAOCQHDKDJY-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.16
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 78776629) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID78776629
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2cnnn2)cc1
InChIInChI=1S/C13H18N6O/c1-3-18(4-2)12-7-5-11(6-8-12)15-13(20)9-19-10-14-16-17-19/h5-8,10H,3-4,9H2,1-2H3,(H,15,20)
InChIKeyOINZAOCQHDKDJY-UHFFFAOYSA-N
XLogP1.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
3-[4-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 81369358
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859
N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
N-[4-(diethylamino)phenyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522697
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide (CID 78776629) is N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)Cn2cnnn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is OINZAOCQHDKDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-18(4-2)12-7-5-11(6-8-12)15-13(20)9-19-10-14-16-17-19/h5-8,10H,3-4,9H2,1-2H3,(H,15,20).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 274.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 78776629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).