2-propoxyethyl 3-amino-4-(dimethylamino)benzoate

C14H22N2O3 — CID 63685987

IUPAC2-propoxyethyl 3-amino-4-(dimethylamino)benzoate
SMILESCCCOCCOC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-4-7-18-8-9-19-14(17)11-5-6-13(16(2)3)12(15)10-11/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyLBZGJKUYUPHTLA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.92
Rot. Bonds7

About 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate

2-propoxyethyl 3-amino-4-(dimethylamino)benzoate (PubChem CID 63685987) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-propoxyethyl 3-amino-4-(dimethylamino)benzoate
PubChem CID63685987
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-propoxyethyl 3-amino-4-(dimethylamino)benzoate
SMILESCCCOCCOC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-4-7-18-8-9-19-14(17)11-5-6-13(16(2)3)12(15)10-11/h5-6,10H,4,7-9,15H2,1-3H3
InChIKeyLBZGJKUYUPHTLA-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 3-amino-4-(dimethylamino)benzoate
CID 61308490
[2-(ethylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61323136
2-methylpropyl 3-amino-4-(dimethylamino)benzoate
CID 61310435
[4-(methylamino)-4-oxobutyl] 3-amino-4-(dimethylamino)benzoate
CID 63892536
(4-bromophenyl)methyl 3-amino-4-(dimethylamino)benzoate
CID 61320857
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
2-butoxyethyl 3-amino-4-fluorobenzoate
CID 61304263
propyl 3-amino-4-propylbenzoate
CID 175274272
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-(dimethylamino)benzoate
CID 61322567
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
octan-2-yl 3-amino-4-(dimethylamino)benzoate
CID 63446975

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate?
The IUPAC name of 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate (CID 63685987) is 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate.
What is the SMILES notation for 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate?
The canonical SMILES for 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate is CCCOCCOC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate?
The InChIKey is LBZGJKUYUPHTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-7-18-8-9-19-14(17)11-5-6-13(16(2)3)12(15)10-11/h5-6,10H,4,7-9,15H2,1-3H3.
What are the key properties of 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate?
2-propoxyethyl 3-amino-4-(dimethylamino)benzoate has a molecular weight of 266.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 3-amino-4-(dimethylamino)benzoate is sourced from PubChem (CID 63685987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).