tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate

C24H30N6O4 — CID 46192551

IUPACtert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc(NC(=O)Cc2nn[nH]n2)cc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C24H30N6O4/c1-24(2,3)34-23(33)30(16-20(31)18-7-5-4-6-8-18)14-13-17-9-11-19(12-10-17)25-22(32)15-21-26-28-29-27-21/h4-12,20,31H,13-16H2,1-3H3,(H,25,32)(H,26,27,28,29)/t20-/m0/s1
InChIKeyJPLHYBRVGABOCH-FQEVSTJZSA-N
MW466.54 g/mol
LogP2.89
Rot. Bonds9

About tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate

tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate (PubChem CID 46192551) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate
PubChem CID46192551
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Nametert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCc1ccc(NC(=O)Cc2nn[nH]n2)cc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C24H30N6O4/c1-24(2,3)34-23(33)30(16-20(31)18-7-5-4-6-8-18)14-13-17-9-11-19(12-10-17)25-22(32)15-21-26-28-29-27-21/h4-12,20,31H,13-16H2,1-3H3,(H,25,32)(H,26,27,28,29)/t20-/m0/s1
InChIKeyJPLHYBRVGABOCH-FQEVSTJZSA-N
XLogP2.89
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[2-[4-[[2-(2-amino-5-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]ethyl]-N-[(2R)-2-hydroxy-2-phenylethyl]carbamate
CID 46192553
tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]phenyl]ethyl]carbamate
CID 155703578
tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(6-phenylmethoxy-2-pyridinyl)acetyl]amino]phenyl]ethyl]carbamate
CID 46192415
tert-butyl N-(2-hydroxy-2-phenylethyl)-N-[2-(2-nitrophenyl)ethyl]carbamate
CID 141402586
2-[(2S)-2-[[4-[2-[(2-hydroxy-2-phenylethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 175070937
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
tert-butyl N-[(2S)-2-hydroxy-3-phenoxypropyl]-N-[2-[4-(phenylcarbamothioylamino)phenyl]ethyl]carbamate
CID 139753750
4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 69103273
N-[4-[2-[acetyl-(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 175404239
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
tert-butyl 2-[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]anilino]phenoxy]acetate
CID 24823792
tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
CID 151652416

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate (CID 46192551) is tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate is CC(C)(C)OC(=O)N(CCc1ccc(NC(=O)Cc2nn[nH]n2)cc1)C[C@H](O)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate?
The InChIKey is JPLHYBRVGABOCH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-24(2,3)34-23(33)30(16-20(31)18-7-5-4-6-8-18)14-13-17-9-11-19(12-10-17)25-22(32)15-21-26-28-29-27-21/h4-12,20,31H,13-16H2,1-3H3,(H,25,32)(H,26,27,28,29)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate?
tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate has a molecular weight of 466.54 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-hydroxy-2-phenylethyl]-N-[2-[4-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]ethyl]carbamate is sourced from PubChem (CID 46192551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).