N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide

C17H23ClN4O3 — CID 60509196

IUPACN-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
SMILESCN(CCCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN4O3/c1-17(2)15(24)22(16(25)20-17)9-5-8-21(3)11-14(23)19-13-7-4-6-12(18)10-13/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyJNXGETHOXAAHOD-UHFFFAOYSA-N
MW366.85 g/mol
LogP1.93
Rot. Bonds7

About N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide

N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide (PubChem CID 60509196) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
PubChem CID60509196
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC NameN-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide
SMILESCN(CCCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN4O3/c1-17(2)15(24)22(16(25)20-17)9-5-8-21(3)11-14(23)19-13-7-4-6-12(18)10-13/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,23)(H,20,25)
InChIKeyJNXGETHOXAAHOD-UHFFFAOYSA-N
XLogP1.93
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 24515219
N-(3-chlorophenyl)-2-[3-(methanesulfonamido)propyl-methylamino]acetamide
CID 47524076
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638596
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46440230
5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
CID 87013212
N-(3-acetylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2547789
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
N-(3-chlorophenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702241
[2-(4-chloroanilino)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703230

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide (CID 60509196) is N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide is CN(CCCN1C(=O)NC(C)(C)C1=O)CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide?
The InChIKey is JNXGETHOXAAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-17(2)15(24)22(16(25)20-17)9-5-8-21(3)11-14(23)19-13-7-4-6-12(18)10-13/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,23)(H,20,25).
What are the key properties of N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide?
N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide has a molecular weight of 366.85 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-methylamino]acetamide is sourced from PubChem (CID 60509196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).