methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride

C18H23ClN2O5 — CID 119811923

IUPACmethyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12.Cl
InChIInChI=1S/C18H22N2O5.ClH/c1-23-10-9-19-11-17(21)20-15-7-8-16(25-12-18(22)24-2)14-6-4-3-5-13(14)15;/h3-8,19H,9-12H2,1-2H3,(H,20,21);1H
InChIKeyGIJKBRBFCBMZLQ-UHFFFAOYSA-N
MW382.84 g/mol
LogP1.99
Rot. Bonds9

About methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride

methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride (PubChem CID 119811923) has the molecular formula C18H23ClN2O5 and a molecular weight of 382.84 g/mol. Its IUPAC name is methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
PubChem CID119811923
Molecular FormulaC18H23ClN2O5
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Namemethyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12.Cl
InChIInChI=1S/C18H22N2O5.ClH/c1-23-10-9-19-11-17(21)20-15-7-8-16(25-12-18(22)24-2)14-6-4-3-5-13(14)15;/h3-8,19H,9-12H2,1-2H3,(H,20,21);1H
InChIKeyGIJKBRBFCBMZLQ-UHFFFAOYSA-N
XLogP1.99
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 51.99
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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Related Compounds

methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
CID 119811908
2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219278
methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
CID 172816463
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119940181
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
2-(2-methoxyethylamino)-N-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119714872
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
2-(2-methoxyethylamino)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 119792295
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride?
The IUPAC name of methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride (CID 119811923) is methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride is COCCNCC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12.Cl.
What is the InChIKey of methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride?
The InChIKey is GIJKBRBFCBMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5.ClH/c1-23-10-9-19-11-17(21)20-15-7-8-16(25-12-18(22)24-2)14-6-4-3-5-13(14)15;/h3-8,19H,9-12H2,1-2H3,(H,20,21);1H.
What are the key properties of methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride?
methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride is sourced from PubChem (CID 119811923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).