2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide

C21H28N2O3 — CID 51245605

IUPAC2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(C)C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H28N2O3/c1-14-6-8-17(9-7-14)13-22-21(24)16(3)23-15(2)19-12-18(25-4)10-11-20(19)26-5/h6-12,15-16,23H,13H2,1-5H3,(H,22,24)
InChIKeyTZMIDQKYUZRJCS-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.37
Rot. Bonds8

About 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide

2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 51245605) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID51245605
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(C)C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H28N2O3/c1-14-6-8-17(9-7-14)13-22-21(24)16(3)23-15(2)19-12-18(25-4)10-11-20(19)26-5/h6-12,15-16,23H,13H2,1-5H3,(H,22,24)
InChIKeyTZMIDQKYUZRJCS-UHFFFAOYSA-N
XLogP3.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 18168183
(2S)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9001411
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-(2-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 51245585
methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate
CID 26563881
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N-propylpropanamide
CID 43781292

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 51245605) is 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide is COc1ccc(OC)c(C(C)NC(C)C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is TZMIDQKYUZRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-6-8-17(9-7-14)13-22-21(24)16(3)23-15(2)19-12-18(25-4)10-11-20(19)26-5/h6-12,15-16,23H,13H2,1-5H3,(H,22,24).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 51245605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).