5-(ethoxycarbonylamino)pentyl ethyl carbonate

C11H21NO5 — CID 91703064

IUPAC5-(ethoxycarbonylamino)pentyl ethyl carbonate
SMILESCCOC(=O)NCCCCCOC(=O)OCC
InChIInChI=1S/C11H21NO5/c1-3-15-10(13)12-8-6-5-7-9-17-11(14)16-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyZTOALZFCZCBHPF-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.08
Rot. Bonds8

About 5-(ethoxycarbonylamino)pentyl ethyl carbonate

5-(ethoxycarbonylamino)pentyl ethyl carbonate (PubChem CID 91703064) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-(ethoxycarbonylamino)pentyl ethyl carbonate.

Molecular Properties

Compound Name5-(ethoxycarbonylamino)pentyl ethyl carbonate
PubChem CID91703064
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name5-(ethoxycarbonylamino)pentyl ethyl carbonate
SMILESCCOC(=O)NCCCCCOC(=O)OCC
InChIInChI=1S/C11H21NO5/c1-3-15-10(13)12-8-6-5-7-9-17-11(14)16-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyZTOALZFCZCBHPF-UHFFFAOYSA-N
XLogP2.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(ethoxycarbonylamino)propyl ethyl carbonate
CID 91713462
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
ethyl N-(6-bromohexyl)carbamate
CID 87279639
azane;octyl N-octylcarbamate
CID 175531380
ethyl tetradecyl carbonate
CID 6421505
ethyl heptadecyl carbonate
CID 6421524
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
5-[4-[[4-[5-[5-ethoxycarbonyloxy-3-ethyl-3-[4-(5-prop-2-enoyloxypentoxycarbonylamino)butylcarbamoyloxymethyl]pentoxy]carbonyloxy-3-ethyl-3-[4-(5-prop-2-enoyloxypentoxycarbonylamino)butylcarbamoyloxymethyl]pentoxy]carbonyloxy-2,2-diethylbutoxy]carbonylamino]butylcarbamoyloxy]pentyl prop-2-enoate
CID 59372722

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxycarbonylamino)pentyl ethyl carbonate?
The IUPAC name of 5-(ethoxycarbonylamino)pentyl ethyl carbonate (CID 91703064) is 5-(ethoxycarbonylamino)pentyl ethyl carbonate.
What is the SMILES notation for 5-(ethoxycarbonylamino)pentyl ethyl carbonate?
The canonical SMILES for 5-(ethoxycarbonylamino)pentyl ethyl carbonate is CCOC(=O)NCCCCCOC(=O)OCC.
What is the InChIKey of 5-(ethoxycarbonylamino)pentyl ethyl carbonate?
The InChIKey is ZTOALZFCZCBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-15-10(13)12-8-6-5-7-9-17-11(14)16-4-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 5-(ethoxycarbonylamino)pentyl ethyl carbonate?
5-(ethoxycarbonylamino)pentyl ethyl carbonate has a molecular weight of 247.29 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxycarbonylamino)pentyl ethyl carbonate is sourced from PubChem (CID 91703064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).