(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide

C20H32N2O4 — CID 41244831

IUPAC(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide
SMILESCCN(CC)C(=O)C[C@@H](C)CC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H32N2O4/c1-6-22(7-2)20(24)13-15(3)12-19(23)21-11-10-16-8-9-17(25-4)18(14-16)26-5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,21,23)/t15-/m0/s1
InChIKeyUTXUGXJIJZYQQH-HNNXBMFYSA-N
MW364.49 g/mol
LogP2.65
Rot. Bonds11

About (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide

(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide (PubChem CID 41244831) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide.

Molecular Properties

Compound Name(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide
PubChem CID41244831
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide
SMILESCCN(CC)C(=O)C[C@@H](C)CC(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H32N2O4/c1-6-22(7-2)20(24)13-15(3)12-19(23)21-11-10-16-8-9-17(25-4)18(14-16)26-5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,21,23)/t15-/m0/s1
InChIKeyUTXUGXJIJZYQQH-HNNXBMFYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide 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-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
3-acetamido-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 51195261
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide?
The IUPAC name of (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide (CID 41244831) is (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide.
What is the SMILES notation for (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide?
The canonical SMILES for (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide is CCN(CC)C(=O)C[C@@H](C)CC(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide?
The InChIKey is UTXUGXJIJZYQQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-6-22(7-2)20(24)13-15(3)12-19(23)21-11-10-16-8-9-17(25-4)18(14-16)26-5/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide?
(3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide has a molecular weight of 364.49 g/mol, XLogP of 2.65, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-diethyl-3-methylpentanediamide is sourced from PubChem (CID 41244831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).