2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C22H30N6O5 — CID 55469957

IUPAC2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)CC1
InChIInChI=1S/C22H30N6O5/c1-4-8-23-18(29)14-26-9-11-27(12-10-26)15-19(30)25-28-20(31)22(2,24-21(28)32)16-6-5-7-17(13-16)33-3/h4-7,13H,1,8-12,14-15H2,2-3H3,(H,23,29)(H,24,32)(H,25,30)
InChIKeyROMKWWZNJZLTME-UHFFFAOYSA-N
MW458.52 g/mol
LogP-0.59
Rot. Bonds9

About 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55469957) has the molecular formula C22H30N6O5 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55469957
Molecular FormulaC22H30N6O5
Molecular Weight458.52 g/mol
Exact Mass458.23
IUPAC Name2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)CC1
InChIInChI=1S/C22H30N6O5/c1-4-8-23-18(29)14-26-9-11-27(12-10-26)15-19(30)25-28-20(31)22(2,24-21(28)32)16-6-5-7-17(13-16)33-3/h4-7,13H,1,8-12,14-15H2,2-3H3,(H,23,29)(H,24,32)(H,25,30)
InChIKeyROMKWWZNJZLTME-UHFFFAOYSA-N
XLogP-0.59
TPSA123.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 55469957) is 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(CC(=O)NN2C(=O)NC(C)(c3cccc(OC)c3)C2=O)CC1.
What is the InChIKey of 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is ROMKWWZNJZLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O5/c1-4-8-23-18(29)14-26-9-11-27(12-10-26)15-19(30)25-28-20(31)22(2,24-21(28)32)16-6-5-7-17(13-16)33-3/h4-7,13H,1,8-12,14-15H2,2-3H3,(H,23,29)(H,24,32)(H,25,30).
What are the key properties of 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 458.52 g/mol, XLogP of -0.59, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55469957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).