2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide

C14H23N3O4 — CID 95556890

IUPAC2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
SMILESCOCC1(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CCCC1
InChIInChI=1S/C14H23N3O4/c1-16-10(12(19)17(2)13(16)20)8-11(18)15-14(9-21-3)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyPYRWBYSSYQIOHX-JTQLQIEISA-N
MW297.35 g/mol
LogP0.34
Rot. Bonds5

About 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide

2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide (PubChem CID 95556890) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
PubChem CID95556890
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
SMILESCOCC1(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CCCC1
InChIInChI=1S/C14H23N3O4/c1-16-10(12(19)17(2)13(16)20)8-11(18)15-14(9-21-3)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyPYRWBYSSYQIOHX-JTQLQIEISA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide (CID 95556890) is 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide is COCC1(NC(=O)C[C@H]2C(=O)N(C)C(=O)N2C)CCCC1.
What is the InChIKey of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The InChIKey is PYRWBYSSYQIOHX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O4/c1-16-10(12(19)17(2)13(16)20)8-11(18)15-14(9-21-3)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide has a molecular weight of 297.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 95556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).