decyl N-(4-phenylbutyl)carbamate

C21H35NO2 — CID 101211373

IUPACdecyl N-(4-phenylbutyl)carbamate
SMILESCCCCCCCCCCOC(=O)NCCCCc1ccccc1
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-14-19-24-21(23)22-18-13-12-17-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3,(H,22,23)
InChIKeyGNRKVRFLVUMUKR-UHFFFAOYSA-N
MW333.52 g/mol
LogP5.88
Rot. Bonds14

About decyl N-(4-phenylbutyl)carbamate

decyl N-(4-phenylbutyl)carbamate (PubChem CID 101211373) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is decyl N-(4-phenylbutyl)carbamate.

Molecular Properties

Compound Namedecyl N-(4-phenylbutyl)carbamate
PubChem CID101211373
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Namedecyl N-(4-phenylbutyl)carbamate
SMILESCCCCCCCCCCOC(=O)NCCCCc1ccccc1
InChIInChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-14-19-24-21(23)22-18-13-12-17-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3,(H,22,23)
InChIKeyGNRKVRFLVUMUKR-UHFFFAOYSA-N
XLogP5.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(5-phenylpentyl)carbamate
CID 69404409
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
heptyl 7-phenylheptyl carbonate
CID 67251382
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
CID 156757449
8-piperidin-1-yloctyl N-(4-phenylbutyl)carbamate
CID 11825276
5-piperidin-1-ylpentyl N-(4-phenylbutyl)carbamate
CID 10882540
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927
azane;octyl N-octylcarbamate
CID 175531380
5-phenylpentyl octanoate
CID 102283660

Frequently Asked Questions

What is the IUPAC name of decyl N-(4-phenylbutyl)carbamate?
The IUPAC name of decyl N-(4-phenylbutyl)carbamate (CID 101211373) is decyl N-(4-phenylbutyl)carbamate.
What is the SMILES notation for decyl N-(4-phenylbutyl)carbamate?
The canonical SMILES for decyl N-(4-phenylbutyl)carbamate is CCCCCCCCCCOC(=O)NCCCCc1ccccc1.
What is the InChIKey of decyl N-(4-phenylbutyl)carbamate?
The InChIKey is GNRKVRFLVUMUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-2-3-4-5-6-7-8-14-19-24-21(23)22-18-13-12-17-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3,(H,22,23).
What are the key properties of decyl N-(4-phenylbutyl)carbamate?
decyl N-(4-phenylbutyl)carbamate has a molecular weight of 333.52 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-(4-phenylbutyl)carbamate is sourced from PubChem (CID 101211373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).