methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate

C19H21NO7 — CID 1307716

IUPACmethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO7/c1-23-14-7-6-11(8-15(14)24-2)18(21)20-13-10-17(26-4)16(25-3)9-12(13)19(22)27-5/h6-10H,1-5H3,(H,20,21)
InChIKeyNWKRYCAPFRMKPH-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.76
Rot. Bonds7

About methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate

methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 1307716) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID1307716
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Namemethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO7/c1-23-14-7-6-11(8-15(14)24-2)18(21)20-13-10-17(26-4)16(25-3)9-12(13)19(22)27-5/h6-10H,1-5H3,(H,20,21)
InChIKeyNWKRYCAPFRMKPH-UHFFFAOYSA-N
XLogP2.76
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate (CID 1307716) is methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is NWKRYCAPFRMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-23-14-7-6-11(8-15(14)24-2)18(21)20-13-10-17(26-4)16(25-3)9-12(13)19(22)27-5/h6-10H,1-5H3,(H,20,21).
What are the key properties of methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate?
methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 375.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 1307716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).