N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C18H21N3O5 — CID 18117869

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)NCCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H21N3O5/c1-18(12-3-4-12)16(23)21(17(24)20-18)9-15(22)19-7-6-11-2-5-13-14(8-11)26-10-25-13/h2,5,8,12H,3-4,6-7,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyYJAYTXSYWUXJQX-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 18117869) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID18117869
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)NCCc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C18H21N3O5/c1-18(12-3-4-12)16(23)21(17(24)20-18)9-15(22)19-7-6-11-2-5-13-14(8-11)26-10-25-13/h2,5,8,12H,3-4,6-7,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyYJAYTXSYWUXJQX-UHFFFAOYSA-N
XLogP0.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7043089
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17401180
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-propyl-1,3-benzodioxol-5-yl)acetamide
CID 51594980
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 24592800
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 55733513
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2541795
2-[(4S)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9064493
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 33033846
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47009670
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51106618
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8023947
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 18117869) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C2CC2)NC(=O)N(CC(=O)NCCc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is YJAYTXSYWUXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-18(12-3-4-12)16(23)21(17(24)20-18)9-15(22)19-7-6-11-2-5-13-14(8-11)26-10-25-13/h2,5,8,12H,3-4,6-7,9-10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 18117869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).