tert-butyl N-(4-azido-1-phenylbutyl)carbamate

C15H22N4O2 — CID 86590308

IUPACtert-butyl N-(4-azido-1-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCCN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)18-13(10-7-11-17-19-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,20)
InChIKeyWESPWGMSUYXZLI-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.34
Rot. Bonds6

About tert-butyl N-(4-azido-1-phenylbutyl)carbamate

tert-butyl N-(4-azido-1-phenylbutyl)carbamate (PubChem CID 86590308) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is tert-butyl N-(4-azido-1-phenylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-azido-1-phenylbutyl)carbamate
PubChem CID86590308
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nametert-butyl N-(4-azido-1-phenylbutyl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCCN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)18-13(10-7-11-17-19-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,20)
InChIKeyWESPWGMSUYXZLI-UHFFFAOYSA-N
XLogP4.34
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-azido-1-phenylbutyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoate
CID 14003425
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600
S-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] ethanethioate
CID 59924169
tert-butyl N-[(2S)-1-[[(2S)-1-(3-azidopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 153408905
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
CID 123772508
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-azido-1-phenylbutyl)carbamate?
The IUPAC name of tert-butyl N-(4-azido-1-phenylbutyl)carbamate (CID 86590308) is tert-butyl N-(4-azido-1-phenylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-azido-1-phenylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-azido-1-phenylbutyl)carbamate is CC(C)(C)OC(=O)NC(CCCN=[N+]=[N-])c1ccccc1.
What is the InChIKey of tert-butyl N-(4-azido-1-phenylbutyl)carbamate?
The InChIKey is WESPWGMSUYXZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)21-14(20)18-13(10-7-11-17-19-16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-(4-azido-1-phenylbutyl)carbamate?
tert-butyl N-(4-azido-1-phenylbutyl)carbamate has a molecular weight of 290.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-azido-1-phenylbutyl)carbamate is sourced from PubChem (CID 86590308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).