N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide

C21H31N3O5 — CID 55664293

IUPACN-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H31N3O5/c1-6-16(7-2)23(12-13-28-4)18(25)14-24-19(26)21(3,22-20(24)27)15-8-10-17(29-5)11-9-15/h8-11,16H,6-7,12-14H2,1-5H3,(H,22,27)
InChIKeyRWGOEWUWXCXZNK-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.13
Rot. Bonds10

About N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide

N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 55664293) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
PubChem CID55664293
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC NameN-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCOC)C(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H31N3O5/c1-6-16(7-2)23(12-13-28-4)18(25)14-24-19(26)21(3,22-20(24)27)15-8-10-17(29-5)11-9-15/h8-11,16H,6-7,12-14H2,1-5H3,(H,22,27)
InChIKeyRWGOEWUWXCXZNK-UHFFFAOYSA-N
XLogP2.13
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55592320
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16545006
N,N-bis(2-cyanoethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42990251
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 7595556
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
N-(3-amino-2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide;hydrochloride
CID 119656734
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119943115
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
N-[2-(ethylamino)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119509184
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide (CID 55664293) is N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)N(CCOC)C(=O)CN1C(=O)NC(C)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is RWGOEWUWXCXZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-6-16(7-2)23(12-13-28-4)18(25)14-24-19(26)21(3,22-20(24)27)15-8-10-17(29-5)11-9-15/h8-11,16H,6-7,12-14H2,1-5H3,(H,22,27).
What are the key properties of N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide?
N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 405.50 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide is sourced from PubChem (CID 55664293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).