3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C21H26N2O4 — CID 113128994

IUPAC3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2ccccc2OC(C)C)C(C)=O)c1
InChIInChI=1S/C21H26N2O4/c1-15(2)27-20-11-6-5-10-19(20)22-21(25)12-13-23(16(3)24)17-8-7-9-18(14-17)26-4/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)
InChIKeySUJJXDUNVHHLOV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.86
Rot. Bonds8

About 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113128994) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113128994
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2ccccc2OC(C)C)C(C)=O)c1
InChIInChI=1S/C21H26N2O4/c1-15(2)27-20-11-6-5-10-19(20)22-21(25)12-13-23(16(3)24)17-8-7-9-18(14-17)26-4/h5-11,14-15H,12-13H2,1-4H3,(H,22,25)
InChIKeySUJJXDUNVHHLOV-UHFFFAOYSA-N
XLogP3.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
methyl 3-[acetyl-[3-(2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131426
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
2-(N-acetyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167588
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113174773
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
2-(N-acetyl-3-methoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113173424
2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113171415
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 113128994) is 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide is COc1cccc(N(CCC(=O)Nc2ccccc2OC(C)C)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is SUJJXDUNVHHLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)27-20-11-6-5-10-19(20)22-21(25)12-13-23(16(3)24)17-8-7-9-18(14-17)26-4/h5-11,14-15H,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113128994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).