2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate

C18H24N2O8 — CID 19784058

IUPAC2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate
SMILESCC(=O)OCCONC(=O)Cc1cccc(CC(=O)NOCCOC(C)=O)c1
InChIInChI=1S/C18H24N2O8/c1-13(21)25-6-8-27-19-17(23)11-15-4-3-5-16(10-15)12-18(24)20-28-9-7-26-14(2)22/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyZWRAIPJAFBUVDF-UHFFFAOYSA-N
MW396.40 g/mol
LogP-0.01
Rot. Bonds12

About 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate

2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate (PubChem CID 19784058) has the molecular formula C18H24N2O8 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate.

Molecular Properties

Compound Name2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate
PubChem CID19784058
Molecular FormulaC18H24N2O8
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate
SMILESCC(=O)OCCONC(=O)Cc1cccc(CC(=O)NOCCOC(C)=O)c1
InChIInChI=1S/C18H24N2O8/c1-13(21)25-6-8-27-19-17(23)11-15-4-3-5-16(10-15)12-18(24)20-28-9-7-26-14(2)22/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyZWRAIPJAFBUVDF-UHFFFAOYSA-N
XLogP-0.01
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate;prop-2-enoic acid
CID 19784057
2-[3-(2-bromoethyl)phenyl]ethyl acetate
CID 174492765
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-(2-methylsulfanylethoxy)-2-phenylacetamide
CID 14273299
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
2-phenylethyl acetate
CID 7654
N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
acetic acid;2-phenylethyl acetate
CID 174791962
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
2-azulen-6-ylethyl acetate
CID 593065
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate?
The IUPAC name of 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate (CID 19784058) is 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate.
What is the SMILES notation for 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate?
The canonical SMILES for 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate is CC(=O)OCCONC(=O)Cc1cccc(CC(=O)NOCCOC(C)=O)c1.
What is the InChIKey of 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate?
The InChIKey is ZWRAIPJAFBUVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8/c1-13(21)25-6-8-27-19-17(23)11-15-4-3-5-16(10-15)12-18(24)20-28-9-7-26-14(2)22/h3-5,10H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate?
2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate has a molecular weight of 396.40 g/mol, XLogP of -0.01, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[2-(2-acetyloxyethoxyamino)-2-oxoethyl]phenyl]acetyl]amino]oxyethyl acetate is sourced from PubChem (CID 19784058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).