tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate

C20H22N6O4 — CID 11223596

IUPACtert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H22N6O4/c1-20(2,3)30-19(28)23-15-9-7-14(8-10-15)22-18(27)12-29-17-6-4-5-16(11-17)26-13-21-24-25-26/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyGZGWGMKMQMOUJK-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.03
Rot. Bonds6

About tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate

tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate (PubChem CID 11223596) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
PubChem CID11223596
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Nametert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H22N6O4/c1-20(2,3)30-19(28)23-15-9-7-14(8-10-15)22-18(27)12-29-17-6-4-5-16(11-17)26-13-21-24-25-26/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyGZGWGMKMQMOUJK-UHFFFAOYSA-N
XLogP3.03
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
N-[4-(4-methylphenoxy)phenyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769112
N-(3-cyanophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709073
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
N-(3-chloro-4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 2709063
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
N-(4-morpholin-4-ylsulfonylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 4858188
N-(2-ethyl-6-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 864038
2-(4-phenoxyphenoxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55500018
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
N-(5-chloro-2-methylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 856533
N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate (CID 11223596) is tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate?
The InChIKey is GZGWGMKMQMOUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-20(2,3)30-19(28)23-15-9-7-14(8-10-15)22-18(27)12-29-17-6-4-5-16(11-17)26-13-21-24-25-26/h4-11,13H,12H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate?
tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate has a molecular weight of 410.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 11223596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).