3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide

C23H31N3O5 — CID 43008482

IUPAC3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(C(=O)NC(C)C(=O)NCCCN(C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H31N3O5/c1-16(22(27)24-12-9-13-26(2)18-10-7-6-8-11-18)25-23(28)17-14-19(29-3)21(31-5)20(15-17)30-4/h6-8,10-11,14-16H,9,12-13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKEEJDDMWGYUPIS-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.47
Rot. Bonds11

About 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide

3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 43008482) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
PubChem CID43008482
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(C(=O)NC(C)C(=O)NCCCN(C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H31N3O5/c1-16(22(27)24-12-9-13-26(2)18-10-7-6-8-11-18)25-23(28)17-14-19(29-3)21(31-5)20(15-17)30-4/h6-8,10-11,14-16H,9,12-13H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKEEJDDMWGYUPIS-UHFFFAOYSA-N
XLogP2.47
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide 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

3,4,5-trimethoxy-N-[(2R)-1-oxo-1-(3-pyrazol-1-ylpropylamino)propan-2-yl]benzamide
CID 37394425
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
3-chloro-4,5-dimethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395019
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide (CID 43008482) is 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide is COc1cc(C(=O)NC(C)C(=O)NCCCN(C)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is KEEJDDMWGYUPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-16(22(27)24-12-9-13-26(2)18-10-7-6-8-11-18)25-23(28)17-14-19(29-3)21(31-5)20(15-17)30-4/h6-8,10-11,14-16H,9,12-13H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide?
3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 43008482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).