3-(ethoxycarbonylamino)propyl ethyl carbonate

C9H17NO5 — CID 91713462

IUPAC3-(ethoxycarbonylamino)propyl ethyl carbonate
SMILESCCOC(=O)NCCCOC(=O)OCC
InChIInChI=1S/C9H17NO5/c1-3-13-8(11)10-6-5-7-15-9(12)14-4-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyLGGROSYBYDOKMR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.30
Rot. Bonds6

About 3-(ethoxycarbonylamino)propyl ethyl carbonate

3-(ethoxycarbonylamino)propyl ethyl carbonate (PubChem CID 91713462) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(ethoxycarbonylamino)propyl ethyl carbonate.

Molecular Properties

Compound Name3-(ethoxycarbonylamino)propyl ethyl carbonate
PubChem CID91713462
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name3-(ethoxycarbonylamino)propyl ethyl carbonate
SMILESCCOC(=O)NCCCOC(=O)OCC
InChIInChI=1S/C9H17NO5/c1-3-13-8(11)10-6-5-7-15-9(12)14-4-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyLGGROSYBYDOKMR-UHFFFAOYSA-N
XLogP1.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.30
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

5-(ethoxycarbonylamino)pentyl ethyl carbonate
CID 91703064
ethyl N-propylcarbamate
CID 12199
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl N-(3-prop-2-ynoxypropyl)carbamate
CID 142615983
CID 175796855
CID 175796855
ethyl N-(6-bromohexyl)carbamate
CID 87279639
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
ethyl N-(4-methylpent-4-enyl)carbamate
CID 123482675

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxycarbonylamino)propyl ethyl carbonate?
The IUPAC name of 3-(ethoxycarbonylamino)propyl ethyl carbonate (CID 91713462) is 3-(ethoxycarbonylamino)propyl ethyl carbonate.
What is the SMILES notation for 3-(ethoxycarbonylamino)propyl ethyl carbonate?
The canonical SMILES for 3-(ethoxycarbonylamino)propyl ethyl carbonate is CCOC(=O)NCCCOC(=O)OCC.
What is the InChIKey of 3-(ethoxycarbonylamino)propyl ethyl carbonate?
The InChIKey is LGGROSYBYDOKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-3-13-8(11)10-6-5-7-15-9(12)14-4-2/h3-7H2,1-2H3,(H,10,11).
What are the key properties of 3-(ethoxycarbonylamino)propyl ethyl carbonate?
3-(ethoxycarbonylamino)propyl ethyl carbonate has a molecular weight of 219.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxycarbonylamino)propyl ethyl carbonate is sourced from PubChem (CID 91713462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).