ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate

C12H22ClNO4 — CID 54875632

IUPACethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)CCCCCl
InChIInChI=1S/C12H22ClNO4/c1-3-18-12(16)10-14(8-9-17-2)11(15)6-4-5-7-13/h3-10H2,1-2H3
InChIKeyKPMHYYHLIBACKE-UHFFFAOYSA-N
MW279.76 g/mol
LogP1.43
Rot. Bonds10

About ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate

ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate (PubChem CID 54875632) has the molecular formula C12H22ClNO4 and a molecular weight of 279.76 g/mol. Its IUPAC name is ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
PubChem CID54875632
Molecular FormulaC12H22ClNO4
Molecular Weight279.76 g/mol
Exact Mass279.12
IUPAC Nameethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)CCCCCl
InChIInChI=1S/C12H22ClNO4/c1-3-18-12(16)10-14(8-9-17-2)11(15)6-4-5-7-13/h3-10H2,1-2H3
InChIKeyKPMHYYHLIBACKE-UHFFFAOYSA-N
XLogP1.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 51.43
H-Bond Donors ≤ 50
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

5-chloro-N-(2-methoxyethyl)-N-methylpentanamide
CID 61040707
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[(2-bromo-2-methylpropanoyl)-(2-methoxyethyl)amino]acetate
CID 114328195
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
CID 55725983
ethyl 2-[ethyl(hexanoyl)amino]acetate
CID 61022826
ethyl 2-[(2-amino-2-methylbutanoyl)-(2-methoxyethyl)amino]acetate
CID 79804892
ethyl 2-[2-[dodecanoyl-(2-ethoxy-2-oxoethyl)amino]ethyl-(2-ethoxy-2-oxoethyl)amino]acetate;hydroxylamine
CID 143996963
ethyl 2-[2-methoxyethyl-[2-(prop-2-ynylamino)acetyl]amino]acetate
CID 79287392
ethyl 2-[ethyl(5-hydroxypentanoyl)amino]acetate
CID 107860351
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate (CID 54875632) is ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)CCCCCl.
What is the InChIKey of ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate?
The InChIKey is KPMHYYHLIBACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO4/c1-3-18-12(16)10-14(8-9-17-2)11(15)6-4-5-7-13/h3-10H2,1-2H3.
What are the key properties of ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate?
ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate has a molecular weight of 279.76 g/mol, XLogP of 1.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloropentanoyl(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 54875632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).