4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide

C23H30N2O5 — CID 56512693

IUPAC4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-7-25(15-16-8-10-18(11-9-16)23(27)24(2)3)21(26)14-17-12-19(28-4)22(30-6)20(13-17)29-5/h8-13H,7,14-15H2,1-6H3
InChIKeyGGTFVTPIOJTKKR-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.01
Rot. Bonds9

About 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56512693) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56512693
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H30N2O5/c1-7-25(15-16-8-10-18(11-9-16)23(27)24(2)3)21(26)14-17-12-19(28-4)22(30-6)20(13-17)29-5/h8-13H,7,14-15H2,1-6H3
InChIKeyGGTFVTPIOJTKKR-UHFFFAOYSA-N
XLogP3.01
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide 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

4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
4-[[ethyl-[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511907
N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
N-ethyl-N-(3,3,3-trifluoropropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51100665
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
CID 87545769
N-benzyl-N-ethyl-2-(4-methoxy-3-methylphenyl)acetamide
CID 100769618
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N,N-dimethyl-4-[[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111377918
4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
CID 119774991
N-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55396620
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide (CID 56512693) is 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is GGTFVTPIOJTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-7-25(15-16-8-10-18(11-9-16)23(27)24(2)3)21(26)14-17-12-19(28-4)22(30-6)20(13-17)29-5/h8-13H,7,14-15H2,1-6H3.
What are the key properties of 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 414.50 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56512693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).