2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

About 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide

2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 124862048) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name	2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID	124862048
Molecular Formula	C18H23N3O6
Molecular Weight	377.40 g/mol
Exact Mass	377.16
IUPAC Name	2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILES	CC(C)[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChI	InChI=1S/C18H23N3O6/c1-10(2)13(8-22)19-16(23)6-12-17(24)21(18(25)20-12)7-11-3-4-14-15(5-11)27-9-26-14/h3-5,10,12-13,22H,6-9H2,1-2H3,(H,19,23)(H,20,25)/t12-,13-/m1/s1
InChIKey	KYWVMFHEQQDBFV-CHWSQXEVSA-N
XLogP	0.36
TPSA	117.20 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?

The IUPAC name of 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 124862048) is 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide.

What is the SMILES notation for 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?

The canonical SMILES for 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](CO)NC(=O)C[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O.

What is the InChIKey of 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?

The InChIKey is KYWVMFHEQQDBFV-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-10(2)13(8-22)19-16(23)6-12-17(24)21(18(25)20-12)7-11-3-4-14-15(5-11)27-9-26-14/h3-5,10,12-13,22H,6-9H2,1-2H3,(H,19,23)(H,20,25)/t12-,13-/m1/s1.

What are the key properties of 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide?

2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 124862048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).