2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C20H32N4O5 — CID 55547591

IUPAC2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H32N4O5/c1-14(2)11-22-8-9-29-16(12-22)10-21-17(25)13-23-18(26)19(27)24(20(23)28)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3,(H,21,25)
InChIKeyATYUTHTVACRNTF-UHFFFAOYSA-N
MW408.50 g/mol
LogP0.58
Rot. Bonds7

About 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 55547591) has the molecular formula C20H32N4O5 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID55547591
Molecular FormulaC20H32N4O5
Molecular Weight408.50 g/mol
Exact Mass408.24
IUPAC Name2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1
InChIInChI=1S/C20H32N4O5/c1-14(2)11-22-8-9-29-16(12-22)10-21-17(25)13-23-18(26)19(27)24(20(23)28)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3,(H,21,25)
InChIKeyATYUTHTVACRNTF-UHFFFAOYSA-N
XLogP0.58
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7756532
2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51923991
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55398239
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39485748
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 75466609
(2S)-2-(furan-2-yl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 124778574
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
1-(cyclohexylmethyl)-1-cyclopropyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 55912395
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 55547591) is 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCOC(CNC(=O)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)C1.
What is the InChIKey of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is ATYUTHTVACRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O5/c1-14(2)11-22-8-9-29-16(12-22)10-21-17(25)13-23-18(26)19(27)24(20(23)28)15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3,(H,21,25).
What are the key properties of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 55547591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).