2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide

C18H24N4O5 — CID 39349369

IUPAC2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H24N4O5/c1-21(2)7-3-6-19-16(23)9-13-17(24)22(18(25)20-13)10-12-4-5-14-15(8-12)27-11-26-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,19,23)(H,20,25)/t13-/m0/s1
InChIKeyRYIIUEAEPJSFGQ-ZDUSSCGKSA-N
MW376.41 g/mol
LogP0.29
Rot. Bonds8

About 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide

2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 39349369) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide
PubChem CID39349369
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H24N4O5/c1-21(2)7-3-6-19-16(23)9-13-17(24)22(18(25)20-13)10-12-4-5-14-15(8-12)27-11-26-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,19,23)(H,20,25)/t13-/m0/s1
InChIKeyRYIIUEAEPJSFGQ-ZDUSSCGKSA-N
XLogP0.29
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 39034834
2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 51829806
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 29136185
2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 51829857
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 29130639
2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 124862048
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 75531892
2-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995204
2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-hydroxy-1-phenylethyl)acetamide
CID 110210277
2-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 51819435
N-[2-(dimethylamino)ethyl]-2-[(4R)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124864224
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
CID 73257741

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide (CID 39349369) is 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is RYIIUEAEPJSFGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-21(2)7-3-6-19-16(23)9-13-17(24)22(18(25)20-13)10-12-4-5-14-15(8-12)27-11-26-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3,(H,19,23)(H,20,25)/t13-/m0/s1.
What are the key properties of 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide?
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 376.41 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 39349369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).