2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide

C24H33N3O3 — CID 42852645

IUPAC2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOc1ccc(CNc2ccc(CC(=O)NCCN3CCCCC3)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O3/c1-29-22-11-8-20(23(17-22)30-2)18-26-21-9-6-19(7-10-21)16-24(28)25-12-15-27-13-4-3-5-14-27/h6-11,17,26H,3-5,12-16,18H2,1-2H3,(H,25,28)
InChIKeyZUVYEFFORWQXTD-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.46
Rot. Bonds10

About 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide

2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 42852645) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID42852645
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOc1ccc(CNc2ccc(CC(=O)NCCN3CCCCC3)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O3/c1-29-22-11-8-20(23(17-22)30-2)18-26-21-9-6-19(7-10-21)16-24(28)25-12-15-27-13-4-3-5-14-27/h6-11,17,26H,3-5,12-16,18H2,1-2H3,(H,25,28)
InChIKeyZUVYEFFORWQXTD-UHFFFAOYSA-N
XLogP3.46
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide 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

2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111878800
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethylaniline
CID 775457
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide (CID 42852645) is 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide is COc1ccc(CNc2ccc(CC(=O)NCCN3CCCCC3)cc2)c(OC)c1.
What is the InChIKey of 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is ZUVYEFFORWQXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-29-22-11-8-20(23(17-22)30-2)18-26-21-9-6-19(7-10-21)16-24(28)25-12-15-27-13-4-3-5-14-27/h6-11,17,26H,3-5,12-16,18H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 42852645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).