propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate

C22H26N2O6 — CID 17191638

IUPACpropyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C22H26N2O6/c1-4-11-30-22(27)15-5-7-17(8-6-15)24-20(25)9-10-23-21(26)16-12-18(28-2)14-19(13-16)29-3/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQLQATVNQEKYUJS-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.03
Rot. Bonds10

About propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate

propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate (PubChem CID 17191638) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
PubChem CID17191638
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Namepropyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C22H26N2O6/c1-4-11-30-22(27)15-5-7-17(8-6-15)24-20(25)9-10-23-21(26)16-12-18(28-2)14-19(13-16)29-3/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyQLQATVNQEKYUJS-UHFFFAOYSA-N
XLogP3.03
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26704483
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
propyl 4-[[2-[4-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54812704
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768

Frequently Asked Questions

What is the IUPAC name of propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate (CID 17191638) is propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
The InChIKey is QLQATVNQEKYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-4-11-30-22(27)15-5-7-17(8-6-15)24-20(25)9-10-23-21(26)16-12-18(28-2)14-19(13-16)29-3/h5-8,12-14H,4,9-11H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate?
propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate has a molecular weight of 414.46 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 17191638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).