2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide

C14H25N3O4 — CID 103770597

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H25N3O4/c1-5-9(6-2)10(18)7-15-11(19)8-17-12(20)14(3,4)16-13(17)21/h9-10,18H,5-8H2,1-4H3,(H,15,19)(H,16,21)
InChIKeyPFPFUMBNEGFKGR-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.23
Rot. Bonds7

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide (PubChem CID 103770597) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
PubChem CID103770597
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
SMILESCCC(CC)C(O)CNC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H25N3O4/c1-5-9(6-2)10(18)7-15-11(19)8-17-12(20)14(3,4)16-13(17)21/h9-10,18H,5-8H2,1-4H3,(H,15,19)(H,16,21)
InChIKeyPFPFUMBNEGFKGR-UHFFFAOYSA-N
XLogP0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827233
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031584
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 43170513
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112230
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 60623112
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956824
(2S)-2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 61173447
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111115969
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 107846533

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide (CID 103770597) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide is CCC(CC)C(O)CNC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
The InChIKey is PFPFUMBNEGFKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-5-9(6-2)10(18)7-15-11(19)8-17-12(20)14(3,4)16-13(17)21/h9-10,18H,5-8H2,1-4H3,(H,15,19)(H,16,21).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide is sourced from PubChem (CID 103770597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).