N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H21N3O4 — CID 8576435

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cc2ccccc2o1
InChIInChI=1S/C19H21N3O4/c1-11(15-9-12-5-3-4-6-14(12)26-15)20-16(23)10-22-17(24)19(2,13-7-8-13)21-18(22)25/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,20,23)(H,21,25)/t11-,19-/m0/s1
InChIKeyYZAXIHCHIBAXKE-WLRWDXFRSA-N
MW355.39 g/mol
LogP2.33
Rot. Bonds5

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 8576435) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID8576435
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cc2ccccc2o1
InChIInChI=1S/C19H21N3O4/c1-11(15-9-12-5-3-4-6-14(12)26-15)20-16(23)10-22-17(24)19(2,13-7-8-13)21-18(22)25/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,20,23)(H,21,25)/t11-,19-/m0/s1
InChIKeyYZAXIHCHIBAXKE-WLRWDXFRSA-N
XLogP2.33
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.33
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

2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001957
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27942378
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 41251630
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41167289
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366870
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 55442296
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 30000395
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 8576435) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is YZAXIHCHIBAXKE-WLRWDXFRSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(15-9-12-5-3-4-6-14(12)26-15)20-16(23)10-22-17(24)19(2,13-7-8-13)21-18(22)25/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,20,23)(H,21,25)/t11-,19-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8576435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).