methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate

C20H21NO6 — CID 7211925

IUPACmethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C20H21NO6/c1-3-12-26-15-10-8-14(9-11-15)19(23)27-13-18(22)21-17-7-5-4-6-16(17)20(24)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyBTJVHRUOJPYEBQ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.06
Rot. Bonds8

About methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate

methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate (PubChem CID 7211925) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
PubChem CID7211925
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namemethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1
InChIInChI=1S/C20H21NO6/c1-3-12-26-15-10-8-14(9-11-15)19(23)27-13-18(22)21-17-7-5-4-6-16(17)20(24)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyBTJVHRUOJPYEBQ-UHFFFAOYSA-N
XLogP3.06
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486896
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-butoxybenzoate
CID 8863539
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 9452060
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
CID 7574754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate (CID 7211925) is methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is BTJVHRUOJPYEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-3-12-26-15-10-8-14(9-11-15)19(23)27-13-18(22)21-17-7-5-4-6-16(17)20(24)25-2/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 371.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 7211925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).