2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C20H28N4O4 — CID 51648008

IUPAC2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C1
InChIInChI=1S/C20H28N4O4/c1-14(2)11-23-7-8-28-16(13-23)9-21-19(26)17-6-4-3-5-15(17)12-24-18(25)10-22-20(24)27/h3-6,14,16H,7-13H2,1-2H3,(H,21,26)(H,22,27)/t16-/m1/s1
InChIKeyBYQRTEOIKOQYNN-MRXNPFEDSA-N
MW388.47 g/mol
LogP0.82
Rot. Bonds7

About 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 51648008) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID51648008
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C1
InChIInChI=1S/C20H28N4O4/c1-14(2)11-23-7-8-28-16(13-23)9-21-19(26)17-6-4-3-5-15(17)12-24-18(25)10-22-20(24)27/h3-6,14,16H,7-13H2,1-2H3,(H,21,26)(H,22,27)/t16-/m1/s1
InChIKeyBYQRTEOIKOQYNN-MRXNPFEDSA-N
XLogP0.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 51648008) is 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(C)CN1CCO[C@H](CNC(=O)c2ccccc2CN2C(=O)CNC2=O)C1.
What is the InChIKey of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is BYQRTEOIKOQYNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)11-23-7-8-28-16(13-23)9-21-19(26)17-6-4-3-5-15(17)12-24-18(25)10-22-20(24)27/h3-6,14,16H,7-13H2,1-2H3,(H,21,26)(H,22,27)/t16-/m1/s1.
What are the key properties of 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 51648008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).