N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C20H25N3O3 — CID 2579989

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C20H25N3O3/c1-20(16-10-6-3-7-11-16)18(25)23(19(26)22-20)14-17(24)21-13-12-15-8-4-2-5-9-15/h3,6-8,10-11H,2,4-5,9,12-14H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyMCCUIFZZMXFWIQ-FQEVSTJZSA-N
MW355.44 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 2579989) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID2579989
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C20H25N3O3/c1-20(16-10-6-3-7-11-16)18(25)23(19(26)22-20)14-17(24)21-13-12-15-8-4-2-5-9-15/h3,6-8,10-11H,2,4-5,9,12-14H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1
InChIKeyMCCUIFZZMXFWIQ-FQEVSTJZSA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 27044420
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 4800196
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439994
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2540069
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702965
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34063377
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95166273
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9453527
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 60519643
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-ynylacetamide
CID 42891284
N-[3-(N-methylanilino)propyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 47094160
N-cyclopentyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580741

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 2579989) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is MCCUIFZZMXFWIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(16-10-6-3-7-11-16)18(25)23(19(26)22-20)14-17(24)21-13-12-15-8-4-2-5-9-15/h3,6-8,10-11H,2,4-5,9,12-14H2,1H3,(H,21,24)(H,22,26)/t20-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2579989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).