N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride

C13H21ClN2O — CID 119670324

IUPACN-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)C(C)CNC)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-15(12-8-6-5-7-9-12)13(16)11(2)10-14-3;/h5-9,11,14H,4,10H2,1-3H3;1H
InChIKeyLZNVGDNOLWRFED-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride

N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride (PubChem CID 119670324) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
PubChem CID119670324
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)C(C)CNC)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-4-15(12-8-6-5-7-9-12)13(16)11(2)10-14-3;/h5-9,11,14H,4,10H2,1-3H3;1H
InChIKeyLZNVGDNOLWRFED-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
2-(3-chloro-N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202960
(2R)-2-(4-benzylpyridin-1-ium-1-yl)-N-ethyl-N-phenylpropanamide
CID 8860090
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride?
The IUPAC name of N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride (CID 119670324) is N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride?
The canonical SMILES for N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride is CCN(C(=O)C(C)CNC)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride?
The InChIKey is LZNVGDNOLWRFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-4-15(12-8-6-5-7-9-12)13(16)11(2)10-14-3;/h5-9,11,14H,4,10H2,1-3H3;1H.
What are the key properties of N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride?
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119670324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).