N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide

C28H39NO3 — CID 4694083

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
SMILESCCCCCCCC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)=Cc1ccccc1
InChIInChI=1S/C28H39NO3/c1-5-6-7-8-12-15-28(30)29(22-23(2)20-24-13-10-9-11-14-24)19-18-25-16-17-26(31-3)27(21-25)32-4/h9-11,13-14,16-17,20-21H,5-8,12,15,18-19,22H2,1-4H3
InChIKeyOMQRESKCMNARQQ-UHFFFAOYSA-N
MW437.62 g/mol
LogP6.54
Rot. Bonds14

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide (PubChem CID 4694083) has the molecular formula C28H39NO3 and a molecular weight of 437.62 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
PubChem CID4694083
Molecular FormulaC28H39NO3
Molecular Weight437.62 g/mol
Exact Mass437.29
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
SMILESCCCCCCCC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)=Cc1ccccc1
InChIInChI=1S/C28H39NO3/c1-5-6-7-8-12-15-28(30)29(22-23(2)20-24-13-10-9-11-14-24)19-18-25-16-17-26(31-3)27(21-25)32-4/h9-11,13-14,16-17,20-21H,5-8,12,15,18-19,22H2,1-4H3
InChIKeyOMQRESKCMNARQQ-UHFFFAOYSA-N
XLogP6.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide 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-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
CID 42702423
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
CID 4235664
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)nonanamide
CID 4308639
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]dodecanamide
CID 42664580
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)nonanamide
CID 3941830
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
methyl 3-[dodecanoyl(2-phenylethyl)amino]propanoate
CID 42702284
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)octanamide
CID 5108583
N-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-phenyltetrazol-5-yl)butanamide
CID 21295539

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide (CID 4694083) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide is CCCCCCCC(=O)N(CCc1ccc(OC)c(OC)c1)CC(C)=Cc1ccccc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
The InChIKey is OMQRESKCMNARQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO3/c1-5-6-7-8-12-15-28(30)29(22-23(2)20-24-13-10-9-11-14-24)19-18-25-16-17-26(31-3)27(21-25)32-4/h9-11,13-14,16-17,20-21H,5-8,12,15,18-19,22H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide has a molecular weight of 437.62 g/mol, XLogP of 6.54, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide is sourced from PubChem (CID 4694083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).