tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate

C20H24N4O2 — CID 91325378

IUPACtert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN=[N+]=[N-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)26-19(25)24(15-14-22-23-21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyUZDZVKKDSUKJIX-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.32
Rot. Bonds6

About tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate

tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate (PubChem CID 91325378) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate
PubChem CID91325378
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Nametert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate
SMILESCC(C)(C)OC(=O)N(CCN=[N+]=[N-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)26-19(25)24(15-14-22-23-21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3
InChIKeyUZDZVKKDSUKJIX-UHFFFAOYSA-N
XLogP5.32
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-azido-1-phenylbutyl)carbamate
CID 86590308
tert-butyl N-but-3-ynyl-N-(1-phenylethyl)carbamate
CID 132546673
tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylpropyl)amino]propanoic acid
CID 156681988
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
tert-butyl N-benzyl-N-[phenyl(trimethylstannyl)methyl]carbamate
CID 177468393
3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
CID 175494223
tert-butyl N-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-benzhydrylcarbamate
CID 70053306
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
tert-butyl N-(2-amino-2-phenylethyl)-N-methylcarbamate
CID 67066123
tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 59131603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate?
The IUPAC name of tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate (CID 91325378) is tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate.
What is the SMILES notation for tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate?
The canonical SMILES for tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate is CC(C)(C)OC(=O)N(CCN=[N+]=[N-])C(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate?
The InChIKey is UZDZVKKDSUKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)26-19(25)24(15-14-22-23-21)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3.
What are the key properties of tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate?
tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate has a molecular weight of 352.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-azidoethyl)-N-benzhydrylcarbamate is sourced from PubChem (CID 91325378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).