N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

C21H29ClN2O4 — CID 120886021

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)N(CCN)CCc2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-25-18-13-17(14-19(26-2)21(18)27-3)15-20(24)23(12-10-22)11-9-16-7-5-4-6-8-16;/h4-8,13-14H,9-12,15,22H2,1-3H3;1H
InChIKeyWVCKIUUNCOQHGK-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.71
Rot. Bonds10

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (PubChem CID 120886021) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
PubChem CID120886021
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)N(CCN)CCc2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-25-18-13-17(14-19(26-2)21(18)27-3)15-20(24)23(12-10-22)11-9-16-7-5-4-6-8-16;/h4-8,13-14H,9-12,15,22H2,1-3H3;1H
InChIKeyWVCKIUUNCOQHGK-UHFFFAOYSA-N
XLogP2.71
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride 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-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990
N-(2-aminoethyl)-2-(2,6-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120885592
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
2-amino-N',N'-bis(2-aminoethyl)-N-[1-oxo-4-phenyl-1-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-yl]butanediamide
CID 74389322
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (CID 120886021) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is COc1cc(CC(=O)N(CCN)CCc2ccccc2)cc(OC)c1OC.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is WVCKIUUNCOQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4.ClH/c1-25-18-13-17(14-19(26-2)21(18)27-3)15-20(24)23(12-10-22)11-9-16-7-5-4-6-8-16;/h4-8,13-14H,9-12,15,22H2,1-3H3;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120886021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).