N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide

C15H18ClN3O4 — CID 94463249

IUPACN-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
SMILESCN(CCOc1ccccc1Cl)C(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C15H18ClN3O4/c1-19(8-9-23-12-5-3-2-4-10(12)16)13(20)7-6-11-14(21)18-15(22)17-11/h2-5,11H,6-9H2,1H3,(H2,17,18,21,22)/t11-/m0/s1
InChIKeyHALPYYIGJCYFBS-NSHDSACASA-N
MW339.78 g/mol
LogP1.17
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide

N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide (PubChem CID 94463249) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
PubChem CID94463249
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
SMILESCN(CCOc1ccccc1Cl)C(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C15H18ClN3O4/c1-19(8-9-23-12-5-3-2-4-10(12)16)13(20)7-6-11-14(21)18-15(22)17-11/h2-5,11H,6-9H2,1H3,(H2,17,18,21,22)/t11-/m0/s1
InChIKeyHALPYYIGJCYFBS-NSHDSACASA-N
XLogP1.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42920527
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
N-[2-(2-chlorophenoxy)ethyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 18167231
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797001

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide (CID 94463249) is N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide is CN(CCOc1ccccc1Cl)C(=O)CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
The InChIKey is HALPYYIGJCYFBS-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-19(8-9-23-12-5-3-2-4-10(12)16)13(20)7-6-11-14(21)18-15(22)17-11/h2-5,11H,6-9H2,1H3,(H2,17,18,21,22)/t11-/m0/s1.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide?
N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide has a molecular weight of 339.78 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide is sourced from PubChem (CID 94463249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).