N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

C17H23N3O3 — CID 71941577

IUPACN-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(CCNC(=O)CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)13-6-4-12(5-7-13)8-9-18-14(21)11-20-15(22)10-19-16(20)23/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyFVIVLUNXMDMZQX-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 71941577) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID71941577
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(C)(C)c1ccc(CCNC(=O)CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)13-6-4-12(5-7-13)8-9-18-14(21)11-20-15(22)10-19-16(20)23/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyFVIVLUNXMDMZQX-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2113805
N-[2-(4-tert-butylphenyl)ethyl]-2-(ethylamino)acetamide
CID 115158005
N-[2-(4-fluorophenyl)ethyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014680
N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86828631
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
N-[2-(4-tert-butylphenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921406
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 97138494
7-amino-N-[2-(4-tert-butylphenyl)ethyl]heptanamide
CID 119706715

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide (CID 71941577) is N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is CC(C)(C)c1ccc(CCNC(=O)CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is FVIVLUNXMDMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)13-6-4-12(5-7-13)8-9-18-14(21)11-20-15(22)10-19-16(20)23/h4-7H,8-11H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 71941577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).