2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate

C13H27N3O4 — CID 58912391

IUPAC2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCOC(=O)NCCCNCC
InChIInChI=1S/C13H27N3O4/c1-3-5-8-15-12(17)19-10-11-20-13(18)16-9-6-7-14-4-2/h14H,3-11H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLGGYIBDMKWXNPO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.24
Rot. Bonds11

About 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate

2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate (PubChem CID 58912391) has the molecular formula C13H27N3O4 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
PubChem CID58912391
Molecular FormulaC13H27N3O4
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC Name2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCOC(=O)NCCCNCC
InChIInChI=1S/C13H27N3O4/c1-3-5-8-15-12(17)19-10-11-20-13(18)16-9-6-7-14-4-2/h14H,3-11H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLGGYIBDMKWXNPO-UHFFFAOYSA-N
XLogP1.24
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)ethyl N-butylcarbamate
CID 79338122
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate?
The IUPAC name of 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate (CID 58912391) is 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate.
What is the SMILES notation for 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate?
The canonical SMILES for 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate is CCCCNC(=O)OCCOC(=O)NCCCNCC.
What is the InChIKey of 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate?
The InChIKey is LGGYIBDMKWXNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4/c1-3-5-8-15-12(17)19-10-11-20-13(18)16-9-6-7-14-4-2/h14H,3-11H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate?
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate has a molecular weight of 289.38 g/mol, XLogP of 1.24, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate is sourced from PubChem (CID 58912391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).