butyl N-(5-phenylpentyl)carbamate

C16H25NO2 — CID 69404409

IUPACbutyl N-(5-phenylpentyl)carbamate
SMILESCCCCOC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-14-19-16(18)17-13-9-5-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,17,18)
InChIKeyZDBGECLHXBIWRD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.93
Rot. Bonds9

About butyl N-(5-phenylpentyl)carbamate

butyl N-(5-phenylpentyl)carbamate (PubChem CID 69404409) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is butyl N-(5-phenylpentyl)carbamate.

Molecular Properties

Compound Namebutyl N-(5-phenylpentyl)carbamate
PubChem CID69404409
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namebutyl N-(5-phenylpentyl)carbamate
SMILESCCCCOC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-3-14-19-16(18)17-13-9-5-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,17,18)
InChIKeyZDBGECLHXBIWRD-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.93
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

decyl N-(4-phenylbutyl)carbamate
CID 101211373
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
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
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
heptyl 7-phenylheptyl carbonate
CID 67251382
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
heptyl 2-oxo-2-(2-phenylethylamino)acetate
CID 6421927
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of butyl N-(5-phenylpentyl)carbamate?
The IUPAC name of butyl N-(5-phenylpentyl)carbamate (CID 69404409) is butyl N-(5-phenylpentyl)carbamate.
What is the SMILES notation for butyl N-(5-phenylpentyl)carbamate?
The canonical SMILES for butyl N-(5-phenylpentyl)carbamate is CCCCOC(=O)NCCCCCc1ccccc1.
What is the InChIKey of butyl N-(5-phenylpentyl)carbamate?
The InChIKey is ZDBGECLHXBIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-14-19-16(18)17-13-9-5-8-12-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3,(H,17,18).
What are the key properties of butyl N-(5-phenylpentyl)carbamate?
butyl N-(5-phenylpentyl)carbamate has a molecular weight of 263.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(5-phenylpentyl)carbamate is sourced from PubChem (CID 69404409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).