N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride

C16H22ClN3O3 — CID 164773853

IUPACN-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride
SMILESCC(C(=O)NCc1ccccc1)N1C(=O)CC(N(C)C)C1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-11(15(21)17-10-12-7-5-4-6-8-12)19-14(20)9-13(16(19)22)18(2)3;/h4-8,11,13H,9-10H2,1-3H3,(H,17,21);1H
InChIKeyDJMJPUQRDJNDPM-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.80
Rot. Bonds5

About N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride

N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride (PubChem CID 164773853) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride
PubChem CID164773853
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride
SMILESCC(C(=O)NCc1ccccc1)N1C(=O)CC(N(C)C)C1=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-11(15(21)17-10-12-7-5-4-6-8-12)19-14(20)9-13(16(19)22)18(2)3;/h4-8,11,13H,9-10H2,1-3H3,(H,17,21);1H
InChIKeyDJMJPUQRDJNDPM-UHFFFAOYSA-N
XLogP0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118729030
(2R)-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide;2-hydroxypropanoic acid
CID 175845234
(2R)-2-[(3aR,7aS)-5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-benzylpropanamide
CID 7122106
(2R)-N-benzyl-2-[(1R,2S,6R,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 124717571
(2R)-N-benzyl-2-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 124718458
(2S)-N-benzyl-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanamide
CID 98278836
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
N-benzyl-2-methylpropanamide;methane
CID 160760567
N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide
CID 11043632
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 51968212
[1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55928270
(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
CID 125138149

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride (CID 164773853) is N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride is CC(C(=O)NCc1ccccc1)N1C(=O)CC(N(C)C)C1=O.Cl.
What is the InChIKey of N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride?
The InChIKey is DJMJPUQRDJNDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-11(15(21)17-10-12-7-5-4-6-8-12)19-14(20)9-13(16(19)22)18(2)3;/h4-8,11,13H,9-10H2,1-3H3,(H,17,21);1H.
What are the key properties of N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride?
N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 164773853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).