3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide

C26H36N2O4 — CID 46649966

IUPAC3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
SMILESCCOc1ccc(C(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)C(C)C)cc1OCC
InChIInChI=1S/C26H36N2O4/c1-7-31-23-14-13-21(15-24(23)32-8-2)26(17(3)4)28-25(30)16-22(27-19(6)29)20-11-9-18(5)10-12-20/h9-15,17,22,26H,7-8,16H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyYWXHIIBVSMRDAU-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.87
Rot. Bonds11

About 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide (PubChem CID 46649966) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
PubChem CID46649966
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide
SMILESCCOc1ccc(C(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)C(C)C)cc1OCC
InChIInChI=1S/C26H36N2O4/c1-7-31-23-14-13-21(15-24(23)32-8-2)26(17(3)4)28-25(30)16-22(27-19(6)29)20-11-9-18(5)10-12-20/h9-15,17,22,26H,7-8,16H2,1-6H3,(H,27,29)(H,28,30)
InChIKeyYWXHIIBVSMRDAU-UHFFFAOYSA-N
XLogP4.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide 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-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 46448379
N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
CID 58190079
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 46649897
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylpent-2-enamide
CID 75896022
3-acetamido-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 5121115
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46649834
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
3-acetamido-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 134053791
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide (CID 46649966) is 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide is CCOc1ccc(C(NC(=O)CC(NC(C)=O)c2ccc(C)cc2)C(C)C)cc1OCC.
What is the InChIKey of 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide?
The InChIKey is YWXHIIBVSMRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-7-31-23-14-13-21(15-24(23)32-8-2)26(17(3)4)28-25(30)16-22(27-19(6)29)20-11-9-18(5)10-12-20/h9-15,17,22,26H,7-8,16H2,1-6H3,(H,27,29)(H,28,30).
What are the key properties of 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide has a molecular weight of 440.58 g/mol, XLogP of 4.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 46649966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).