[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate

C16H23NO5 — CID 8537066

IUPAC[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC)cc1OCCC
InChIInChI=1S/C16H23NO5/c1-4-8-20-13-7-6-12(10-14(13)21-9-5-2)16(19)22-11-15(18)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyDNDIXTNWKBRIEV-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.17
Rot. Bonds9

About [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate

[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate (PubChem CID 8537066) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
PubChem CID8537066
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC)cc1OCCC
InChIInChI=1S/C16H23NO5/c1-4-8-20-13-7-6-12(10-14(13)21-9-5-2)16(19)22-11-15(18)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyDNDIXTNWKBRIEV-UHFFFAOYSA-N
XLogP2.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885400
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8885391
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
(2-benzamido-2-oxoethyl) 3-methoxy-4-propoxybenzoate
CID 2600245
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 2646544
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate (CID 8537066) is [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NC)cc1OCCC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate?
The InChIKey is DNDIXTNWKBRIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-8-20-13-7-6-12(10-14(13)21-9-5-2)16(19)22-11-15(18)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate?
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate has a molecular weight of 309.36 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate is sourced from PubChem (CID 8537066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).