N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C19H25N3O5 — CID 9342014

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C19H25N3O5/c1-5-21-16(24)17(25)22(18(21)26)12-15(23)20-10-11-27-14-8-6-13(7-9-14)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyPMDSHGLCFDUHME-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 9342014) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID9342014
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C19H25N3O5/c1-5-21-16(24)17(25)22(18(21)26)12-15(23)20-10-11-27-14-8-6-13(7-9-14)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,23)
InChIKeyPMDSHGLCFDUHME-UHFFFAOYSA-N
XLogP1.29
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9490169
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 9492218
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 9490192
1-butyl-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882694
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342048
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
1-[2-[2-(4-tert-butylphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557450
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide
CID 167319949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 9342014) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is PMDSHGLCFDUHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-5-21-16(24)17(25)22(18(21)26)12-15(23)20-10-11-27-14-8-6-13(7-9-14)19(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 9342014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).