N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide

C21H27NO4 — CID 19220649

IUPACN-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-4-5-14-26-18-10-8-17(9-11-18)22-21(23)13-7-16-6-12-19(24-2)20(15-16)25-3/h6,8-12,15H,4-5,7,13-14H2,1-3H3,(H,22,23)
InChIKeyVKWAUBGPIIKQFX-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.45
Rot. Bonds10

About N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 19220649) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID19220649
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-4-5-14-26-18-10-8-17(9-11-18)22-21(23)13-7-16-6-12-19(24-2)20(15-16)25-3/h6,8-12,15H,4-5,7,13-14H2,1-3H3,(H,22,23)
InChIKeyVKWAUBGPIIKQFX-UHFFFAOYSA-N
XLogP4.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
CID 19221776
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
butyl 4-[[2-[3-(3,4-dimethoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 29199685
N-(4-butoxyphenyl)butanamide
CID 4939679

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 19220649) is N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide is CCCCOc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is VKWAUBGPIIKQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-5-14-26-18-10-8-17(9-11-18)22-21(23)13-7-16-6-12-19(24-2)20(15-16)25-3/h6,8-12,15H,4-5,7,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 19220649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).