2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide

C21H27NO4 — CID 54781417

IUPAC2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO4/c1-6-14(2)17-9-7-8-10-18(17)26-15(3)21(23)22-16-11-12-19(24-4)20(13-16)25-5/h7-15H,6H2,1-5H3,(H,22,23)
InChIKeyILVKHPCCYZCPRR-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.62
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide

2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 54781417) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID54781417
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H27NO4/c1-6-14(2)17-9-7-8-10-18(17)26-15(3)21(23)22-16-11-12-19(24-4)20(13-16)25-5/h7-15H,6H2,1-5H3,(H,22,23)
InChIKeyILVKHPCCYZCPRR-UHFFFAOYSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)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

2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
N-[3-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 17204655
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
2-(2-butan-2-ylphenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 17129881
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912158

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide (CID 54781417) is 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide is CCC(C)c1ccccc1OC(C)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is ILVKHPCCYZCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-6-14(2)17-9-7-8-10-18(17)26-15(3)21(23)22-16-11-12-19(24-4)20(13-16)25-5/h7-15H,6H2,1-5H3,(H,22,23).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 54781417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).