2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H27N5O5 — CID 55468897

IUPAC2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cccc(C2(C)NC(=O)N(NC(=O)CN3CCCN(C(C)=O)CC3)C2=O)c1
InChIInChI=1S/C20H27N5O5/c1-14(26)24-9-5-8-23(10-11-24)13-17(27)22-25-18(28)20(2,21-19(25)29)15-6-4-7-16(12-15)30-3/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,21,29)(H,22,27)
InChIKeyNALAVGGPZZJGJE-UHFFFAOYSA-N
MW417.47 g/mol
LogP0.05
Rot. Bonds5

About 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55468897) has the molecular formula C20H27N5O5 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID55468897
Molecular FormulaC20H27N5O5
Molecular Weight417.47 g/mol
Exact Mass417.20
IUPAC Name2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cccc(C2(C)NC(=O)N(NC(=O)CN3CCCN(C(C)=O)CC3)C2=O)c1
InChIInChI=1S/C20H27N5O5/c1-14(26)24-9-5-8-23(10-11-24)13-17(27)22-25-18(28)20(2,21-19(25)29)15-6-4-7-16(12-15)30-3/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,21,29)(H,22,27)
InChIKeyNALAVGGPZZJGJE-UHFFFAOYSA-N
XLogP0.05
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
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
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55498703
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41118340
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 42921548
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55445627
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 55511314
2-[4-[2-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24568484

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55468897) is 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cccc(C2(C)NC(=O)N(NC(=O)CN3CCCN(C(C)=O)CC3)C2=O)c1.
What is the InChIKey of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is NALAVGGPZZJGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5/c1-14(26)24-9-5-8-23(10-11-24)13-17(27)22-25-18(28)20(2,21-19(25)29)15-6-4-7-16(12-15)30-3/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,21,29)(H,22,27).
What are the key properties of 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55468897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).