methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate

C20H22N2O6 — CID 17191696

IUPACmethyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H22N2O6/c1-26-14-10-13(11-15(12-14)27-2)19(24)21-9-8-18(23)22-17-7-5-4-6-16(17)20(25)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGBEXUAJGKFXMIK-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.25
Rot. Bonds8

About methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate

methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate (PubChem CID 17191696) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
PubChem CID17191696
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Namemethyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CCNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C20H22N2O6/c1-26-14-10-13(11-15(12-14)27-2)19(24)21-9-8-18(23)22-17-7-5-4-6-16(17)20(25)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyGBEXUAJGKFXMIK-UHFFFAOYSA-N
XLogP2.25
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
3,5-dimethoxy-N-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]benzamide
CID 17191720
N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226286
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306
N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191592
3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112997742

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate (CID 17191696) is methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate is COC(=O)c1ccccc1NC(=O)CCNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
The InChIKey is GBEXUAJGKFXMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-26-14-10-13(11-15(12-14)27-2)19(24)21-9-8-18(23)22-17-7-5-4-6-16(17)20(25)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate has a molecular weight of 386.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 17191696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).