2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C23H26N4O3 — CID 124839039

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H]2CCc3ccccc32)C1=O
InChIInChI=1S/C23H26N4O3/c1-3-23(17-10-5-4-6-11-17)21(29)27(22(30)24-23)25-20(28)15-26(2)19-14-13-16-9-7-8-12-18(16)19/h4-12,19H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)/t19-,23+/m0/s1
InChIKeyPTSSSUCMKKAMLV-WMZHIEFXSA-N
MW406.49 g/mol
LogP2.49
Rot. Bonds6

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 124839039) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID124839039
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H]2CCc3ccccc32)C1=O
InChIInChI=1S/C23H26N4O3/c1-3-23(17-10-5-4-6-11-17)21(29)27(22(30)24-23)25-20(28)15-26(2)19-14-13-16-9-7-8-12-18(16)19/h4-12,19H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)/t19-,23+/m0/s1
InChIKeyPTSSSUCMKKAMLV-WMZHIEFXSA-N
XLogP2.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124838905
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 34201331
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791201
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17483792
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 43013055
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294828
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931716
[2-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197116
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide
CID 52528557

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 124839039) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)[C@H]2CCc3ccccc32)C1=O.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is PTSSSUCMKKAMLV-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-23(17-10-5-4-6-11-17)21(29)27(22(30)24-23)25-20(28)15-26(2)19-14-13-16-9-7-8-12-18(16)19/h4-12,19H,3,13-15H2,1-2H3,(H,24,30)(H,25,28)/t19-,23+/m0/s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 124839039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).