2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C19H24N4O5 — CID 8576337

IUPAC2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1
InChIInChI=1S/C19H24N4O5/c1-19(12-7-8-12)17(26)23(18(27)21-19)11-16(25)22(2)10-15(24)20-13-5-4-6-14(9-13)28-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,24)(H,21,27)/t19-/m0/s1
InChIKeyIZJFAYWIEMZTDF-IBGZPJMESA-N
MW388.42 g/mol
LogP0.81
Rot. Bonds7

About 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 8576337) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID8576337
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1
InChIInChI=1S/C19H24N4O5/c1-19(12-7-8-12)17(26)23(18(27)21-19)11-16(25)22(2)10-15(24)20-13-5-4-6-14(9-13)28-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,24)(H,21,27)/t19-/m0/s1
InChIKeyIZJFAYWIEMZTDF-IBGZPJMESA-N
XLogP0.81
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8576314
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 120774634
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626992
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 7618361
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 8576337) is 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c1.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is IZJFAYWIEMZTDF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O5/c1-19(12-7-8-12)17(26)23(18(27)21-19)11-16(25)22(2)10-15(24)20-13-5-4-6-14(9-13)28-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,20,24)(H,21,27)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 388.42 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 8576337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).