[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate

C14H20N2O4 — CID 68807016

IUPAC[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)Oc1ccc(OC(=O)CN(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-15(2)9-13(17)19-11-5-7-12(8-6-11)20-14(18)10-16(3)4/h5-8H,9-10H2,1-4H3
InChIKeyGBIUXRMAKAAYMS-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.62
Rot. Bonds6

About [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate

[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate (PubChem CID 68807016) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate.

Molecular Properties

Compound Name[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
PubChem CID68807016
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)Oc1ccc(OC(=O)CN(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-15(2)9-13(17)19-11-5-7-12(8-6-11)20-14(18)10-16(3)4/h5-8H,9-10H2,1-4H3
InChIKeyGBIUXRMAKAAYMS-UHFFFAOYSA-N
XLogP0.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-propan-2-ylphenyl) 2-(dimethylamino)acetate
CID 91261500
[4-(2-sulfanylacetyl)oxyphenyl] 2-sulfanylacetate
CID 142849680
bis(4-methylphenyl) butanedioate
CID 14740597
bis(4-methoxyphenyl) propanedioate
CID 12000137
2-(dimethylamino)ethaneperoxoic acid
CID 175345912
[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate
CID 89459514
2-[[2-(4-ethoxyphenoxy)-2-oxoethyl]-ethylamino]acetic acid
CID 61011460
(4-methoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650561
[2-(dimethylamino)acetyl] benzoate
CID 90707608
(4-methylphenyl) 2-ethylsulfonylacetate
CID 86219817
bis(4-methylphenyl) hexanedioate
CID 521615

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate?
The IUPAC name of [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate (CID 68807016) is [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate.
What is the SMILES notation for [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate?
The canonical SMILES for [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate is CN(C)CC(=O)Oc1ccc(OC(=O)CN(C)C)cc1.
What is the InChIKey of [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate?
The InChIKey is GBIUXRMAKAAYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15(2)9-13(17)19-11-5-7-12(8-6-11)20-14(18)10-16(3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate?
[4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate has a molecular weight of 280.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)acetyl]oxyphenyl] 2-(dimethylamino)acetate is sourced from PubChem (CID 68807016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).