N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide

C18H28N2O4 — CID 108542599

IUPACN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-5-14(6-2)18(22)20-10-9-19-17(21)12-13-7-8-15(23-3)16(11-13)24-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYPFKPIUJIXWCSS-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.91
Rot. Bonds10

About N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide

N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide (PubChem CID 108542599) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
PubChem CID108542599
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-5-14(6-2)18(22)20-10-9-19-17(21)12-13-7-8-15(23-3)16(11-13)24-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYPFKPIUJIXWCSS-UHFFFAOYSA-N
XLogP1.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide 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-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
CID 102464836
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
N-[2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113056311
2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-5-hydroxypentanamide
CID 165352389
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide (CID 108542599) is N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCNC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide?
The InChIKey is YPFKPIUJIXWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-14(6-2)18(22)20-10-9-19-17(21)12-13-7-8-15(23-3)16(11-13)24-4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide?
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide has a molecular weight of 336.43 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 108542599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).