tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate

C23H29N5O2 — CID 141085923

IUPACtert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
SMILESCCC(C)(NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H29N5O2/c1-6-23(5,21(29)30-22(2,3)4)24-15-16-11-13-17(14-12-16)18-9-7-8-10-19(18)20-25-27-28-26-20/h7-14,24H,6,15H2,1-5H3,(H,25,26,27,28)
InChIKeyOZZRVGPSQAATMW-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.13
Rot. Bonds7

About tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate

tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate (PubChem CID 141085923) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
PubChem CID141085923
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Nametert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
SMILESCCC(C)(NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H29N5O2/c1-6-23(5,21(29)30-22(2,3)4)24-15-16-11-13-17(14-12-16)18-9-7-8-10-19(18)20-25-27-28-26-20/h7-14,24H,6,15H2,1-5H3,(H,25,26,27,28)
InChIKeyOZZRVGPSQAATMW-UHFFFAOYSA-N
XLogP4.13
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate with MolForge

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Related Compounds

tert-butyl (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]but-3-enoate
CID 163575893
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
2,5,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyridine-3-carboxylic acid;hydrochloride
CID 67909695
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
CID 70051804
ethyl 5-(2-hydroxypropan-2-yl)-2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 143199226
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate
CID 67424085
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
CID 57119373
3-[(2-methylpropan-2-yl)oxy]-2-[[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]amino]propanoic acid
CID 68520279

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate?
The IUPAC name of tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate (CID 141085923) is tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate.
What is the SMILES notation for tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate?
The canonical SMILES for tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate is CCC(C)(NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate?
The InChIKey is OZZRVGPSQAATMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-6-23(5,21(29)30-22(2,3)4)24-15-16-11-13-17(14-12-16)18-9-7-8-10-19(18)20-25-27-28-26-20/h7-14,24H,6,15H2,1-5H3,(H,25,26,27,28).
What are the key properties of tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate?
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate has a molecular weight of 407.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate is sourced from PubChem (CID 141085923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).