2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate

C16H32N2O6 — CID 542364

IUPAC2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate
SMILESCCOCCOC(=O)NCCCCCCNC(=O)OCCOCC
InChIInChI=1S/C16H32N2O6/c1-3-21-11-13-23-15(19)17-9-7-5-6-8-10-18-16(20)24-14-12-22-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFCTSFTNONMILDD-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.07
Rot. Bonds15

About 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate

2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate (PubChem CID 542364) has the molecular formula C16H32N2O6 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Name2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate
PubChem CID542364
Molecular FormulaC16H32N2O6
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC Name2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate
SMILESCCOCCOC(=O)NCCCCCCNC(=O)OCCOCC
InChIInChI=1S/C16H32N2O6/c1-3-21-11-13-23-15(19)17-9-7-5-6-8-10-18-16(20)24-14-12-22-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFCTSFTNONMILDD-UHFFFAOYSA-N
XLogP2.07
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate?
The IUPAC name of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate (CID 542364) is 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate is CCOCCOC(=O)NCCCCCCNC(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate?
The InChIKey is FCTSFTNONMILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6/c1-3-21-11-13-23-15(19)17-9-7-5-6-8-10-18-16(20)24-14-12-22-4-2/h3-14H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate?
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 2.07, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 542364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).