3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide

C20H26N2O3 — CID 119705610

IUPAC3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(OC)c(CCNC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-14(19(21)15-7-5-4-6-8-15)20(23)22-12-11-16-13-17(24-2)9-10-18(16)25-3/h4-10,13-14,19H,11-12,21H2,1-3H3,(H,22,23)
InChIKeyAFBZIZYEOOIBQF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds8

About 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119705610) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119705610
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(OC)c(CCNC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C20H26N2O3/c1-14(19(21)15-7-5-4-6-8-15)20(23)22-12-11-16-13-17(24-2)9-10-18(16)25-3/h4-10,13-14,19H,11-12,21H2,1-3H3,(H,22,23)
InChIKeyAFBZIZYEOOIBQF-UHFFFAOYSA-N
XLogP2.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119778880
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 22691311
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667021
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273154
3-amino-N-(2-ethoxy-5-methoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119774050
methyl 4-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]benzoate
CID 119701393

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide (CID 119705610) is 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide is COc1ccc(OC)c(CCNC(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is AFBZIZYEOOIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(19(21)15-7-5-4-6-8-15)20(23)22-12-11-16-13-17(24-2)9-10-18(16)25-3/h4-10,13-14,19H,11-12,21H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119705610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).