dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate

C19H19NO6 — CID 9321640

IUPACdimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate
SMILESCCC(=O)Nc1cccc(Oc2ccc(C(=O)OC)c(C(=O)OC)c2)c1
InChIInChI=1S/C19H19NO6/c1-4-17(21)20-12-6-5-7-13(10-12)26-14-8-9-15(18(22)24-2)16(11-14)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyHNZHIEPAQPTEFG-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.40
Rot. Bonds6

About dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate

dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate (PubChem CID 9321640) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate
PubChem CID9321640
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Namedimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate
SMILESCCC(=O)Nc1cccc(Oc2ccc(C(=O)OC)c(C(=O)OC)c2)c1
InChIInChI=1S/C19H19NO6/c1-4-17(21)20-12-6-5-7-13(10-12)26-14-8-9-15(18(22)24-2)16(11-14)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21)
InChIKeyHNZHIEPAQPTEFG-UHFFFAOYSA-N
XLogP3.40
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(propanoylamino)phenoxy]phthalic acid
CID 9320972
dimethyl 4-[3-(2-phenylbutanoylamino)phenoxy]benzene-1,2-dicarboxylate
CID 17296746
dimethyl 4-[3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 17296798
dimethyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 17296753
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044
dimethyl 4-[4-[[(2R)-2-methylbutanoyl]amino]phenoxy]benzene-1,2-dicarboxylate
CID 9323664
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309543
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
2-amino-N-[3-(3,5-diethylphenoxy)phenyl]acetamide
CID 21434805
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate (CID 9321640) is dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate is CCC(=O)Nc1cccc(Oc2ccc(C(=O)OC)c(C(=O)OC)c2)c1.
What is the InChIKey of dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate?
The InChIKey is HNZHIEPAQPTEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-4-17(21)20-12-6-5-7-13(10-12)26-14-8-9-15(18(22)24-2)16(11-14)19(23)25-3/h5-11H,4H2,1-3H3,(H,20,21).
What are the key properties of dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate?
dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate has a molecular weight of 357.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[3-(propanoylamino)phenoxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 9321640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).