N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C16H26ClN3O2 — CID 119732850

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCN(Cc1ccccc1NC(=O)C(C)CNC)C(C)=O.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-19(13(3)20)11-14-8-6-7-9-15(14)18-16(21)12(2)10-17-4;/h6-9,12,17H,5,10-11H2,1-4H3,(H,18,21);1H
InChIKeyDJKLPXDVMPXDAI-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119732850) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119732850
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCN(Cc1ccccc1NC(=O)C(C)CNC)C(C)=O.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-5-19(13(3)20)11-14-8-6-7-9-15(14)18-16(21)12(2)10-17-4;/h6-9,12,17H,5,10-11H2,1-4H3,(H,18,21);1H
InChIKeyDJKLPXDVMPXDAI-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55672861
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119732850) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CCN(Cc1ccccc1NC(=O)C(C)CNC)C(C)=O.Cl.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is DJKLPXDVMPXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-5-19(13(3)20)11-14-8-6-7-9-15(14)18-16(21)12(2)10-17-4;/h6-9,12,17H,5,10-11H2,1-4H3,(H,18,21);1H.
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119732850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).