2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide

C20H29N3O4 — CID 8565898

IUPAC2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H29N3O4/c1-5-12-22(13-6-2)17(24)14-23-18(25)20(7-3,21-19(23)26)15-8-10-16(27-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H,21,26)/t20-/m0/s1
InChIKeyVFRGUSDNIIESPI-FQEVSTJZSA-N
MW375.47 g/mol
LogP2.50
Rot. Bonds9

About 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide (PubChem CID 8565898) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
PubChem CID8565898
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H29N3O4/c1-5-12-22(13-6-2)17(24)14-23-18(25)20(7-3,21-19(23)26)15-8-10-16(27-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H,21,26)/t20-/m0/s1
InChIKeyVFRGUSDNIIESPI-FQEVSTJZSA-N
XLogP2.50
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 7595556
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 7595546
N-butyl-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 8565893
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8565910
N,N-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8567603
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide (CID 8565898) is 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide?
The InChIKey is VFRGUSDNIIESPI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-5-12-22(13-6-2)17(24)14-23-18(25)20(7-3,21-19(23)26)15-8-10-16(27-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H,21,26)/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide?
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide has a molecular weight of 375.47 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 8565898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).