2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide

C20H33N5O4 — CID 55642373

IUPAC2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)CC1
InChIInChI=1S/C20H33N5O4/c1-4-23(5-2)16(26)13-22-9-6-10-24(12-11-22)17(27)14-25-18(28)20(3,15-7-8-15)21-19(25)29/h15H,4-14H2,1-3H3,(H,21,29)
InChIKeyBUXBKORFAHAHBT-UHFFFAOYSA-N
MW407.52 g/mol
LogP0.11
Rot. Bonds7

About 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide

2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide (PubChem CID 55642373) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
PubChem CID55642373
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)CC1
InChIInChI=1S/C20H33N5O4/c1-4-23(5-2)16(26)13-22-9-6-10-24(12-11-22)17(27)14-25-18(28)20(3,15-7-8-15)21-19(25)29/h15H,4-14H2,1-3H3,(H,21,29)
InChIKeyBUXBKORFAHAHBT-UHFFFAOYSA-N
XLogP0.11
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-methyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119488225
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 31640874
(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 119395261
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656
5-cyclopropyl-5-methyl-3-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 78790835
N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55447252
5-cyclopropyl-3-[2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 86903510
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 24542027
5-cyclopropyl-3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17440358
N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 52600596

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide (CID 55642373) is 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)CC1.
What is the InChIKey of 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The InChIKey is BUXBKORFAHAHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-4-23(5-2)16(26)13-22-9-6-10-24(12-11-22)17(27)14-25-18(28)20(3,15-7-8-15)21-19(25)29/h15H,4-14H2,1-3H3,(H,21,29).
What are the key properties of 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide has a molecular weight of 407.52 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55642373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).