3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide

C20H25NO4 — CID 38999781

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2OC(C)C)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(2)25-17-8-6-5-7-16(17)21-20(22)12-10-15-9-11-18(23-3)19(13-15)24-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,21,22)
InChIKeyYIFGNBQFDOLTBM-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.06
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 38999781) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID38999781
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2OC(C)C)cc1OC
InChIInChI=1S/C20H25NO4/c1-14(2)25-17-8-6-5-7-16(17)21-20(22)12-10-15-9-11-18(23-3)19(13-15)24-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,21,22)
InChIKeyYIFGNBQFDOLTBM-UHFFFAOYSA-N
XLogP4.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 24514263
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 5196396
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
N-[2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8019876
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390667
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide (CID 38999781) is 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccccc2OC(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is YIFGNBQFDOLTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)25-17-8-6-5-7-16(17)21-20(22)12-10-15-9-11-18(23-3)19(13-15)24-4/h5-9,11,13-14H,10,12H2,1-4H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 343.42 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 38999781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).