2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide

C20H29N3O6 — CID 7595556

IUPAC2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N(CCOC)CCOC)C1=O
InChIInChI=1S/C20H29N3O6/c1-5-20(15-6-8-16(29-4)9-7-15)18(25)23(19(26)21-20)14-17(24)22(10-12-27-2)11-13-28-3/h6-9H,5,10-14H2,1-4H3,(H,21,26)/t20-/m1/s1
InChIKeyYIYJWLQTSWSOJX-HXUWFJFHSA-N
MW407.47 g/mol
LogP0.97
Rot. Bonds11

About 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 7595556) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID7595556
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N(CCOC)CCOC)C1=O
InChIInChI=1S/C20H29N3O6/c1-5-20(15-6-8-16(29-4)9-7-15)18(25)23(19(26)21-20)14-17(24)22(10-12-27-2)11-13-28-3/h6-9H,5,10-14H2,1-4H3,(H,21,26)/t20-/m1/s1
InChIKeyYIYJWLQTSWSOJX-HXUWFJFHSA-N
XLogP0.97
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
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
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367
(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-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
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
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 7595556) is 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide is CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)N(CCOC)CCOC)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is YIYJWLQTSWSOJX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H29N3O6/c1-5-20(15-6-8-16(29-4)9-7-15)18(25)23(19(26)21-20)14-17(24)22(10-12-27-2)11-13-28-3/h6-9H,5,10-14H2,1-4H3,(H,21,26)/t20-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 7595556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).