(4-azido-1-phenylbutyl) carbamate

C11H14N4O2 — CID 121415286

IUPAC(4-azido-1-phenylbutyl) carbamate
SMILES[N-]=[N+]=NCCCC(OC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N4O2/c12-11(16)17-10(7-4-8-14-15-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,12,16)
InChIKeyUZIIRDWWDFQPDL-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.91
Rot. Bonds6

About (4-azido-1-phenylbutyl) carbamate

(4-azido-1-phenylbutyl) carbamate (PubChem CID 121415286) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (4-azido-1-phenylbutyl) carbamate.

Molecular Properties

Compound Name(4-azido-1-phenylbutyl) carbamate
PubChem CID121415286
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name(4-azido-1-phenylbutyl) carbamate
SMILES[N-]=[N+]=NCCCC(OC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N4O2/c12-11(16)17-10(7-4-8-14-15-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,12,16)
InChIKeyUZIIRDWWDFQPDL-UHFFFAOYSA-N
XLogP2.91
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.91
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'}

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Related Compounds

1,3-diphenylpropyl carbamate
CID 154100927
(2-amino-1-phenylethyl) carbamate
CID 57066991
(2-bromo-1-phenylethyl) carbamate
CID 175141510
1-phenylbut-3-enyl carbamate
CID 126509930
[1-phenyl-3-(1-phenylpyrrolidin-1-ium-1-yl)propyl] carbamate
CID 18700388
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[3-(1-ethylpiperidin-1-ium-1-yl)-1-phenylpropyl] carbamate
CID 54514526
(2-azido-1-phenylethyl)urea
CID 121416559
[3-(5-methylimidazol-1-yl)-1-phenylpropyl] carbamate
CID 174613982
2-(3-azidopropoxy)benzamide
CID 61396560

Frequently Asked Questions

What is the IUPAC name of (4-azido-1-phenylbutyl) carbamate?
The IUPAC name of (4-azido-1-phenylbutyl) carbamate (CID 121415286) is (4-azido-1-phenylbutyl) carbamate.
What is the SMILES notation for (4-azido-1-phenylbutyl) carbamate?
The canonical SMILES for (4-azido-1-phenylbutyl) carbamate is [N-]=[N+]=NCCCC(OC(N)=O)c1ccccc1.
What is the InChIKey of (4-azido-1-phenylbutyl) carbamate?
The InChIKey is UZIIRDWWDFQPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-11(16)17-10(7-4-8-14-15-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,12,16).
What are the key properties of (4-azido-1-phenylbutyl) carbamate?
(4-azido-1-phenylbutyl) carbamate has a molecular weight of 234.26 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-1-phenylbutyl) carbamate is sourced from PubChem (CID 121415286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).