tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate

C15H20N6O3 — CID 51095808

IUPACtert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H20N6O3/c1-15(2,3)24-14(23)17-8-7-16-13(22)11-5-4-6-12(9-11)21-10-18-19-20-21/h4-6,9-10H,7-8H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyQYBGXMJPYRPHGP-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.92
Rot. Bonds5

About tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate (PubChem CID 51095808) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
PubChem CID51095808
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Nametert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H20N6O3/c1-15(2,3)24-14(23)17-8-7-16-13(22)11-5-4-6-12(9-11)21-10-18-19-20-21/h4-6,9-10H,7-8H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyQYBGXMJPYRPHGP-UHFFFAOYSA-N
XLogP0.92
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.92
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

N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
CID 55736386
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095782
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 1460215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate (CID 51095808) is tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate?
The InChIKey is QYBGXMJPYRPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-15(2,3)24-14(23)17-8-7-16-13(22)11-5-4-6-12(9-11)21-10-18-19-20-21/h4-6,9-10H,7-8H2,1-3H3,(H,16,22)(H,17,23).
What are the key properties of tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 0.92, 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-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 51095808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).