2-acetamidoethyl 1-chloroethyl carbonate

C7H12ClNO4 — CID 23019510

IUPAC2-acetamidoethyl 1-chloroethyl carbonate
SMILESCC(=O)NCCOC(=O)OC(C)Cl
InChIInChI=1S/C7H12ClNO4/c1-5(8)13-7(11)12-4-3-9-6(2)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyUGXIMGKBVFGTMB-UHFFFAOYSA-N
MW209.63 g/mol
LogP0.86
Rot. Bonds4

About 2-acetamidoethyl 1-chloroethyl carbonate

2-acetamidoethyl 1-chloroethyl carbonate (PubChem CID 23019510) has the molecular formula C7H12ClNO4 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-acetamidoethyl 1-chloroethyl carbonate.

Molecular Properties

Compound Name2-acetamidoethyl 1-chloroethyl carbonate
PubChem CID23019510
Molecular FormulaC7H12ClNO4
Molecular Weight209.63 g/mol
Exact Mass209.05
IUPAC Name2-acetamidoethyl 1-chloroethyl carbonate
SMILESCC(=O)NCCOC(=O)OC(C)Cl
InChIInChI=1S/C7H12ClNO4/c1-5(8)13-7(11)12-4-3-9-6(2)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyUGXIMGKBVFGTMB-UHFFFAOYSA-N
XLogP0.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloroethyl 2-chloroethyl carbonate
CID 87128668
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
2-acetamidoethyl hydrogen carbonate
CID 150133482
2-acetamidoethyl iodomethyl carbonate
CID 11748163
[(1S)-1-chloroethyl] [(1R)-1-chloroethyl] carbonate
CID 124561868
2-acetamidoethyl propanoate
CID 54208768
1-chloroethyl N-(2-methoxyethyl)carbamate
CID 150618578
2-acetamidoethyl 2-fluoroacetate
CID 45254008
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
1-chloroethyl [(3R)-3-nitrooxybutyl] carbonate
CID 59614875
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl 1-chloroethyl carbonate?
The IUPAC name of 2-acetamidoethyl 1-chloroethyl carbonate (CID 23019510) is 2-acetamidoethyl 1-chloroethyl carbonate.
What is the SMILES notation for 2-acetamidoethyl 1-chloroethyl carbonate?
The canonical SMILES for 2-acetamidoethyl 1-chloroethyl carbonate is CC(=O)NCCOC(=O)OC(C)Cl.
What is the InChIKey of 2-acetamidoethyl 1-chloroethyl carbonate?
The InChIKey is UGXIMGKBVFGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO4/c1-5(8)13-7(11)12-4-3-9-6(2)10/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-acetamidoethyl 1-chloroethyl carbonate?
2-acetamidoethyl 1-chloroethyl carbonate has a molecular weight of 209.63 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl 1-chloroethyl carbonate is sourced from PubChem (CID 23019510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).