2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide

About 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide

2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 7962163) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name	2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID	7962163
Molecular Formula	C19H25N3O5
Molecular Weight	375.43 g/mol
Exact Mass	375.18
IUPAC Name	2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
SMILES	CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O
InChI	InChI=1S/C19H25N3O5/c1-12(2)6-7-20-16(23)11-22-17(24)19(3,21-18(22)25)13-4-5-14-15(10-13)27-9-8-26-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,23)(H,21,25)/t19-/m0/s1
InChIKey	HFSRNVFRKBTNKX-IBGZPJMESA-N
XLogP	1.39
TPSA	96.97 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide?

The IUPAC name of 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide (CID 7962163) is 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide.

What is the SMILES notation for 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide?

The canonical SMILES for 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O.

What is the InChIKey of 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide?

The InChIKey is HFSRNVFRKBTNKX-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O5/c1-12(2)6-7-20-16(23)11-22-17(24)19(3,21-18(22)25)13-4-5-14-15(10-13)27-9-8-26-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,23)(H,21,25)/t19-/m0/s1.

What are the key properties of 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide?

2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 7962163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).