ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane

C16H25IN2O4 — CID 23622666

IUPACethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane
SMILESCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1O.CI
InChIInChI=1S/C15H22N2O4.CH3I/c1-4-17(5-2)10-14(19)16-11-7-8-12(13(18)9-11)15(20)21-6-3;1-2/h7-9,18H,4-6,10H2,1-3H3,(H,16,19);1H3
InChIKeyAUKONJGXZMLYIZ-UHFFFAOYSA-N
MW436.29 g/mol
LogP2.90
Rot. Bonds7

About ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane

ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane (PubChem CID 23622666) has the molecular formula C16H25IN2O4 and a molecular weight of 436.29 g/mol. Its IUPAC name is ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane.

Molecular Properties

Compound Nameethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane
PubChem CID23622666
Molecular FormulaC16H25IN2O4
Molecular Weight436.29 g/mol
Exact Mass436.09
IUPAC Nameethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane
SMILESCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1O.CI
InChIInChI=1S/C15H22N2O4.CH3I/c1-4-17(5-2)10-14(19)16-11-7-8-12(13(18)9-11)15(20)21-6-3;1-2/h7-9,18H,4-6,10H2,1-3H3,(H,16,19);1H3
InChIKeyAUKONJGXZMLYIZ-UHFFFAOYSA-N
XLogP2.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
ethyl 2-hydroxy-4-[[2-(4-methylimidazol-1-yl)acetyl]amino]benzoate
CID 155678483
ethyl 4-[[2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)acetyl]amino]-2-hydroxybenzoate
CID 126208090
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
diethyl 5-[[2-(diethylamino)acetyl]amino]-2-hydroxy-4,6-dimethylbenzene-1,3-dicarboxylate
CID 15568065
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(3-amino-4-methoxyphenyl)-2-(diethylamino)acetamide;dihydrochloride
CID 119419045
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 83300739

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane?
The IUPAC name of ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane (CID 23622666) is ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane.
What is the SMILES notation for ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane?
The canonical SMILES for ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane is CCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1O.CI.
What is the InChIKey of ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane?
The InChIKey is AUKONJGXZMLYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.CH3I/c1-4-17(5-2)10-14(19)16-11-7-8-12(13(18)9-11)15(20)21-6-3;1-2/h7-9,18H,4-6,10H2,1-3H3,(H,16,19);1H3.
What are the key properties of ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane?
ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane has a molecular weight of 436.29 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate;iodomethane is sourced from PubChem (CID 23622666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).