2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride

C13H17ClN4O3 — CID 119728481

IUPAC2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1.Cl
InChIInChI=1S/C13H16N4O3.ClH/c1-13(11(19)16-12(20)17-13)8-4-3-5-9(6-8)15-10(18)7-14-2;/h3-6,14H,7H2,1-2H3,(H,15,18)(H2,16,17,19,20);1H
InChIKeyBQFVHJZOOYSWBE-UHFFFAOYSA-N
MW312.76 g/mol
LogP0.32
Rot. Bonds4

About 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride (PubChem CID 119728481) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
PubChem CID119728481
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC Name2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
SMILESCNCC(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1.Cl
InChIInChI=1S/C13H16N4O3.ClH/c1-13(11(19)16-12(20)17-13)8-4-3-5-9(6-8)15-10(18)7-14-2;/h3-6,14H,7H2,1-2H3,(H,15,18)(H2,16,17,19,20);1H
InChIKeyBQFVHJZOOYSWBE-UHFFFAOYSA-N
XLogP0.32
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
CID 55961363
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 51949437
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride (CID 119728481) is 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride is CNCC(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride?
The InChIKey is BQFVHJZOOYSWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3.ClH/c1-13(11(19)16-12(20)17-13)8-4-3-5-9(6-8)15-10(18)7-14-2;/h3-6,14H,7H2,1-2H3,(H,15,18)(H2,16,17,19,20);1H.
What are the key properties of 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride has a molecular weight of 312.76 g/mol, XLogP of 0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119728481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).