2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide

C15H20N4O5 — CID 94814614

IUPAC2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O
InChIInChI=1S/C15H20N4O5/c1-4-7-16-13(22)17-11(20)8-19-12(21)15(3,18-14(19)23)10-6-5-9(2)24-10/h5-6H,4,7-8H2,1-3H3,(H,18,23)(H2,16,17,20,22)/t15-/m0/s1
InChIKeyQXOWNEHILRCQIV-HNNXBMFYSA-N
MW336.35 g/mol
LogP0.59
Rot. Bonds5

About 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide

2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 94814614) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID94814614
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O
InChIInChI=1S/C15H20N4O5/c1-4-7-16-13(22)17-11(20)8-19-12(21)15(3,18-14(19)23)10-6-5-9(2)24-10/h5-6H,4,7-8H2,1-3H3,(H,18,23)(H2,16,17,20,22)/t15-/m0/s1
InChIKeyQXOWNEHILRCQIV-HNNXBMFYSA-N
XLogP0.59
TPSA120.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(ethylcarbamoyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51106021
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 2581674
N-[(4-chlorophenyl)methyl]-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132253
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18777504
N-(2-ethoxyphenyl)-2-[(4R)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52509368
N-(2,3-dimethylphenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52510822
N-(2-chlorophenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52512676
N-(2,3-dimethylphenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132252
2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 60617450
(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
CID 94814004
N-(3,4-difluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092818
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide (CID 94814614) is 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)o2)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is QXOWNEHILRCQIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-4-7-16-13(22)17-11(20)8-19-12(21)15(3,18-14(19)23)10-6-5-9(2)24-10/h5-6H,4,7-8H2,1-3H3,(H,18,23)(H2,16,17,20,22)/t15-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 336.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 94814614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).