3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide

C17H20N2O3 — CID 43822665

IUPAC3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-21-13-8-9-16(22-2)15(10-13)19-17(20)11-14(18)12-6-4-3-5-7-12/h3-10,14H,11,18H2,1-2H3,(H,19,20)
InChIKeyDTRPQRPNDOFEPC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.73
Rot. Bonds6

About 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide

3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide (PubChem CID 43822665) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
PubChem CID43822665
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CC(N)c2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-21-13-8-9-16(22-2)15(10-13)19-17(20)11-14(18)12-6-4-3-5-7-12/h3-10,14H,11,18H2,1-2H3,(H,19,20)
InChIKeyDTRPQRPNDOFEPC-UHFFFAOYSA-N
XLogP2.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
benzhydryl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 8730102
N-(2,5-dimethoxyphenyl)-3-[[2-(dimethylamino)-1-phenylethyl]amino]butanamide
CID 119163981
N-(2,5-dimethoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131563
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
(2S)-2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,2-diphenylacetamide
CID 51961248

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide (CID 43822665) is 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide is COc1ccc(OC)c(NC(=O)CC(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
The InChIKey is DTRPQRPNDOFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-13-8-9-16(22-2)15(10-13)19-17(20)11-14(18)12-6-4-3-5-7-12/h3-10,14H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 43822665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).