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

C21H31N3O4 — CID 8567619

IUPACN-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCN(CC)C(=O)CN1C(=O)N[C@](C)(CCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H31N3O4/c1-5-7-14-23(6-2)18(25)15-24-19(26)21(3,22-20(24)27)13-12-16-8-10-17(28-4)11-9-16/h8-11H,5-7,12-15H2,1-4H3,(H,22,27)/t21-/m1/s1
InChIKeyATTVQYZFIBCYDC-OAQYLSRUSA-N
MW389.50 g/mol
LogP2.59
Rot. Bonds10

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

N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 8567619) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID8567619
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCCCN(CC)C(=O)CN1C(=O)N[C@](C)(CCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C21H31N3O4/c1-5-7-14-23(6-2)18(25)15-24-19(26)21(3,22-20(24)27)13-12-16-8-10-17(28-4)11-9-16/h8-11H,5-7,12-15H2,1-4H3,(H,22,27)/t21-/m1/s1
InChIKeyATTVQYZFIBCYDC-OAQYLSRUSA-N
XLogP2.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.59
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-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8567603
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
N-[(4-ethoxyphenyl)methyl]-2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 55357460
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-(ethylcarbamoyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8506964
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
N-benzyl-N-ethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7171006
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
N-cyclopropyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507132
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 8567619) is N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CCCCN(CC)C(=O)CN1C(=O)N[C@](C)(CCc2ccc(OC)cc2)C1=O.
What is the InChIKey of N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ATTVQYZFIBCYDC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-5-7-14-23(6-2)18(25)15-24-19(26)21(3,22-20(24)27)13-12-16-8-10-17(28-4)11-9-16/h8-11H,5-7,12-15H2,1-4H3,(H,22,27)/t21-/m1/s1.
What are the key properties of N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 8567619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).