decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate

C33H66N2O6 — CID 173281202

IUPACdecoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate
SMILESCCCCCCCCCCOC(=O)N(CCCCC)C(=O)O.CCCCCCCCCCOC(=O)NCCCCC
InChIInChI=1S/C17H33NO4.C16H33NO2/c1-3-5-7-8-9-10-11-13-15-22-17(21)18(16(19)20)14-12-6-4-2;1-3-5-7-8-9-10-11-13-15-19-16(18)17-14-12-6-4-2/h3-15H2,1-2H3,(H,19,20);3-15H2,1-2H3,(H,17,18)
InChIKeyUKXYXNAPIPAQSJ-UHFFFAOYSA-N
MW586.90 g/mol
LogP10.48
Rot. Bonds26

About decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate

decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate (PubChem CID 173281202) has the molecular formula C33H66N2O6 and a molecular weight of 586.90 g/mol. Its IUPAC name is decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate.

Molecular Properties

Compound Namedecoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate
PubChem CID173281202
Molecular FormulaC33H66N2O6
Molecular Weight586.90 g/mol
Exact Mass586.49
IUPAC Namedecoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate
SMILESCCCCCCCCCCOC(=O)N(CCCCC)C(=O)O.CCCCCCCCCCOC(=O)NCCCCC
InChIInChI=1S/C17H33NO4.C16H33NO2/c1-3-5-7-8-9-10-11-13-15-22-17(21)18(16(19)20)14-12-6-4-2;1-3-5-7-8-9-10-11-13-15-19-16(18)17-14-12-6-4-2/h3-15H2,1-2H3,(H,19,20);3-15H2,1-2H3,(H,17,18)
InChIKeyUKXYXNAPIPAQSJ-UHFFFAOYSA-N
XLogP10.48
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.90
LogP ≤ 510.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexoxycarbonyl(pentyl)carbamic acid;hexyl N-pentylcarbamate
CID 173264121
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876
4-[6-[bis(heptylcarbamoyl)amino]hexylcarbamoyloxy]butyl N-[6-[bis(heptylcarbamoyl)amino]hexyl]carbamate
CID 20789752
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
octadecyl N-propylcarbamate
CID 175015942
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
12-(heptylcarbamoyloxy)dodeca-5,7-diynyl N-heptylcarbamate
CID 102402143

Frequently Asked Questions

What is the IUPAC name of decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate?
The IUPAC name of decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate (CID 173281202) is decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate.
What is the SMILES notation for decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate?
The canonical SMILES for decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate is CCCCCCCCCCOC(=O)N(CCCCC)C(=O)O.CCCCCCCCCCOC(=O)NCCCCC.
What is the InChIKey of decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate?
The InChIKey is UKXYXNAPIPAQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4.C16H33NO2/c1-3-5-7-8-9-10-11-13-15-22-17(21)18(16(19)20)14-12-6-4-2;1-3-5-7-8-9-10-11-13-15-19-16(18)17-14-12-6-4-2/h3-15H2,1-2H3,(H,19,20);3-15H2,1-2H3,(H,17,18).
What are the key properties of decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate?
decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate has a molecular weight of 586.90 g/mol, XLogP of 10.48, 26 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate is sourced from PubChem (CID 173281202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).