tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate

C26H29N5O2 — CID 54448135

IUPACtert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1nnnn1CCc1ccccc1
InChIInChI=1S/C26H29N5O2/c1-26(2,3)33-25(32)27-23(18-20-13-14-21-11-7-8-12-22(21)17-20)24-28-29-30-31(24)16-15-19-9-5-4-6-10-19/h4-14,17,23H,15-16,18H2,1-3H3,(H,27,32)/t23-/m1/s1
InChIKeyWTADUKWXJABEOI-HSZRJFAPSA-N
MW443.55 g/mol
LogP4.88
Rot. Bonds7

About tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate (PubChem CID 54448135) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate
PubChem CID54448135
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Nametert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1nnnn1CCc1ccccc1
InChIInChI=1S/C26H29N5O2/c1-26(2,3)33-25(32)27-23(18-20-13-14-21-11-7-8-12-22(21)17-20)24-28-29-30-31(24)16-15-19-9-5-4-6-10-19/h4-14,17,23H,15-16,18H2,1-3H3,(H,27,32)/t23-/m1/s1
InChIKeyWTADUKWXJABEOI-HSZRJFAPSA-N
XLogP4.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate
CID 10788857
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-naphthalen-2-ylbutanoic acid
CID 7021578
tert-butyl N-[(1R)-2-naphthalen-2-yl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
CID 59838366
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 86751289
1,5-dimethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]imidazole-4-carboxylic acid
CID 101190216
(2R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(naphthalen-2-ylmethyl)-5-phenylpentanoic acid
CID 18655473
5-methyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1,3-oxazole-4-carboxylic acid
CID 91758148
tert-butyl N-[1-(1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate
CID 122163510
methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate
CID 23404388
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986413
chloromethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate
CID 138986414
benzyl 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropyl]-1,3-oxazole-4-carboxylate
CID 22961318

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate (CID 54448135) is tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](Cc1ccc2ccccc2c1)c1nnnn1CCc1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate?
The InChIKey is WTADUKWXJABEOI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-26(2,3)33-25(32)27-23(18-20-13-14-21-11-7-8-12-22(21)17-20)24-28-29-30-31(24)16-15-19-9-5-4-6-10-19/h4-14,17,23H,15-16,18H2,1-3H3,(H,27,32)/t23-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate?
tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate has a molecular weight of 443.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 54448135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).