2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide

C21H31N3O4 — CID 43031509

IUPAC2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)NCCOc2cccc(C)c2)C1=O
InChIInChI=1S/C21H31N3O4/c1-4-5-6-7-11-21(3)19(26)24(20(27)23-21)15-18(25)22-12-13-28-17-10-8-9-16(2)14-17/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyJVZOXNZAEDLKKF-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.77
Rot. Bonds11

About 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 43031509) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID43031509
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)NCCOc2cccc(C)c2)C1=O
InChIInChI=1S/C21H31N3O4/c1-4-5-6-7-11-21(3)19(26)24(20(27)23-21)15-18(25)22-12-13-28-17-10-8-9-16(2)14-17/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyJVZOXNZAEDLKKF-UHFFFAOYSA-N
XLogP2.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46615794
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46810453
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 29393678
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8608603
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24605788
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 155964614
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964411
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7639984
N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964419
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 47014235

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 43031509) is 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide is CCCCCCC1(C)NC(=O)N(CC(=O)NCCOc2cccc(C)c2)C1=O.
What is the InChIKey of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is JVZOXNZAEDLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-4-5-6-7-11-21(3)19(26)24(20(27)23-21)15-18(25)22-12-13-28-17-10-8-9-16(2)14-17/h8-10,14H,4-7,11-13,15H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 43031509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).