tert-butyl N-hexyl-N-phenylcarbamate

C17H27NO2 — CID 135064745

IUPACtert-butyl N-hexyl-N-phenylcarbamate
SMILESCCCCCCN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-6-7-11-14-18(15-12-9-8-10-13-15)16(19)20-17(2,3)4/h8-10,12-13H,5-7,11,14H2,1-4H3
InChIKeyDUOJUPGDUAUIOP-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.01
Rot. Bonds6

About tert-butyl N-hexyl-N-phenylcarbamate

tert-butyl N-hexyl-N-phenylcarbamate (PubChem CID 135064745) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl N-hexyl-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-hexyl-N-phenylcarbamate
PubChem CID135064745
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl N-hexyl-N-phenylcarbamate
SMILESCCCCCCN(C(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-6-7-11-14-18(15-12-9-8-10-13-15)16(19)20-17(2,3)4/h8-10,12-13H,5-7,11,14H2,1-4H3
InChIKeyDUOJUPGDUAUIOP-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
octyl(phenyl)carbamic acid
CID 54301990
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
CID 125116625
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980
N-hexyl-N-phenylacetamide
CID 13217997
tert-butyl N-hexadecyl-N-[4-(1H-imidazol-2-ylmethyl)phenyl]carbamate
CID 70576118
tert-butyl 2-[3-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propyl]-10-[(2-methylpropan-2-yl)oxycarbonyl-[2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]ethylamino]amino]decanoate
CID 22366177
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hexyl-N-phenylcarbamate?
The IUPAC name of tert-butyl N-hexyl-N-phenylcarbamate (CID 135064745) is tert-butyl N-hexyl-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-hexyl-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-hexyl-N-phenylcarbamate is CCCCCCN(C(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-hexyl-N-phenylcarbamate?
The InChIKey is DUOJUPGDUAUIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-7-11-14-18(15-12-9-8-10-13-15)16(19)20-17(2,3)4/h8-10,12-13H,5-7,11,14H2,1-4H3.
What are the key properties of tert-butyl N-hexyl-N-phenylcarbamate?
tert-butyl N-hexyl-N-phenylcarbamate has a molecular weight of 277.41 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hexyl-N-phenylcarbamate is sourced from PubChem (CID 135064745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).