tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate

C14H20N6O2 — CID 103818149

IUPACtert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)22-13(21)16-9-8-15-11-4-6-12(7-5-11)20-10-17-18-19-20/h4-7,10,15H,8-9H2,1-3H3,(H,16,21)
InChIKeyPJYYLXYOJZIWIX-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.60
Rot. Bonds5

About tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate

tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate (PubChem CID 103818149) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
PubChem CID103818149
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Nametert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)22-13(21)16-9-8-15-11-4-6-12(7-5-11)20-10-17-18-19-20/h4-7,10,15H,8-9H2,1-3H3,(H,16,21)
InChIKeyPJYYLXYOJZIWIX-UHFFFAOYSA-N
XLogP1.60
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
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tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
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tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
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tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
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tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
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tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
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tert-butyl N-[3-[4-(triazol-2-yl)anilino]propyl]carbamate
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tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate (CID 103818149) is tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate?
The InChIKey is PJYYLXYOJZIWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-14(2,3)22-13(21)16-9-8-15-11-4-6-12(7-5-11)20-10-17-18-19-20/h4-7,10,15H,8-9H2,1-3H3,(H,16,21).
What are the key properties of tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate?
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate is sourced from PubChem (CID 103818149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).