methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate

C16H18N2O4 — CID 119811908

IUPACmethyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
SMILESCNCC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-17-9-15(19)18-13-7-8-14(22-10-16(20)21-2)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyRZICPLPRTONBHH-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.55
Rot. Bonds6

About methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate

methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate (PubChem CID 119811908) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
PubChem CID119811908
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namemethyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate
SMILESCNCC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-17-9-15(19)18-13-7-8-14(22-10-16(20)21-2)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3,(H,18,19)
InChIKeyRZICPLPRTONBHH-UHFFFAOYSA-N
XLogP1.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[[2-(2-methoxyethylamino)acetyl]amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119811923
methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
CID 172816463
2-[4-[3-(2-methoxyethoxy)propanoylamino]naphthalen-1-yl]oxyacetic acid
CID 119219278
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]naphthalen-1-yl]oxyacetate;hydrochloride
CID 119940181
2-[4-(3-propan-2-yloxypropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219213
2-[4-[(2-butan-2-yloxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 120522294
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-[4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219249
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
CID 119219296
methyl 2-[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxyacetate
CID 58520264
methyl 2-quinolin-4-yloxyacetate
CID 151479480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate?
The IUPAC name of methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate (CID 119811908) is methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate.
What is the SMILES notation for methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate?
The canonical SMILES for methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate is CNCC(=O)Nc1ccc(OCC(=O)OC)c2ccccc12.
What is the InChIKey of methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate?
The InChIKey is RZICPLPRTONBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-17-9-15(19)18-13-7-8-14(22-10-16(20)21-2)12-6-4-3-5-11(12)13/h3-8,17H,9-10H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate?
methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate has a molecular weight of 302.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(methylamino)acetyl]amino]naphthalen-1-yl]oxyacetate is sourced from PubChem (CID 119811908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).