(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate

C21H25N5O2 — CID 175020493

IUPAC(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)N(CCc1ccccc1)C(=O)Oc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C21H25N5O2/c1-21(2,3)25(15-14-17-10-6-4-7-11-17)20(27)28-19-22-24-26(23-19)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeySQEFIIJOGYQOKZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.56
Rot. Bonds6

About (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate

(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate (PubChem CID 175020493) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate
PubChem CID175020493
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)N(CCc1ccccc1)C(=O)Oc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C21H25N5O2/c1-21(2,3)25(15-14-17-10-6-4-7-11-17)20(27)28-19-22-24-26(23-19)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKeySQEFIIJOGYQOKZ-UHFFFAOYSA-N
XLogP3.56
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175012156
2-(2-fluoroethoxy)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013794
2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175337647
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175009875
2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one
CID 84794327
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013804
(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
bis[12-(2-benzyltetrazol-5-yl)dodecyl] propanedioate
CID 102416878

Frequently Asked Questions

What is the IUPAC name of (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate?
The IUPAC name of (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate (CID 175020493) is (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate is CC(C)(C)N(CCc1ccccc1)C(=O)Oc1nnn(Cc2ccccc2)n1.
What is the InChIKey of (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate?
The InChIKey is SQEFIIJOGYQOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2,3)25(15-14-17-10-6-4-7-11-17)20(27)28-19-22-24-26(23-19)16-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3.
What are the key properties of (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate?
(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 175020493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).