4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide

C20H34N4O4 — CID 18150685

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O
InChIInChI=1S/C20H34N4O4/c1-19(2)17(26)24(18(27)22-19)10-6-7-16(25)21-15-20(8-4-3-5-9-20)23-11-13-28-14-12-23/h3-15H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyHDAFALQZEAGDOF-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.25
Rot. Bonds7

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide (PubChem CID 18150685) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
PubChem CID18150685
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
SMILESCC1(C)NC(=O)N(CCCC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O
InChIInChI=1S/C20H34N4O4/c1-19(2)17(26)24(18(27)22-19)10-6-7-16(25)21-15-20(8-4-3-5-9-20)23-11-13-28-14-12-23/h3-15H2,1-2H3,(H,21,25)(H,22,27)
InChIKeyHDAFALQZEAGDOF-UHFFFAOYSA-N
XLogP1.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.25
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 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide (CID 18150685) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide is CC1(C)NC(=O)N(CCCC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
The InChIKey is HDAFALQZEAGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-19(2)17(26)24(18(27)22-19)10-6-7-16(25)21-15-20(8-4-3-5-9-20)23-11-13-28-14-12-23/h3-15H2,1-2H3,(H,21,25)(H,22,27).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide has a molecular weight of 394.52 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 18150685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).