N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C25H36N4O3 — CID 98726647

IUPACN-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCN([C@H](C)c3ccccc3)C1)C2=O
InChIInChI=1S/C25H36N4O3/c1-17-12-24(3,4)16-25(13-17)22(31)29(23(32)27-25)15-21(30)26-20-10-11-28(14-20)18(2)19-8-6-5-7-9-19/h5-9,17-18,20H,10-16H2,1-4H3,(H,26,30)(H,27,32)/t17-,18-,20-,25+/m1/s1
InChIKeyMLYMOVNUUHOSHB-QNRRCFITSA-N
MW440.59 g/mol
LogP3.07
Rot. Bonds5

About N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 98726647) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID98726647
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCN([C@H](C)c3ccccc3)C1)C2=O
InChIInChI=1S/C25H36N4O3/c1-17-12-24(3,4)16-25(13-17)22(31)29(23(32)27-25)15-21(30)26-20-10-11-28(14-20)18(2)19-8-6-5-7-9-19/h5-9,17-18,20H,10-16H2,1-4H3,(H,26,30)(H,27,32)/t17-,18-,20-,25+/m1/s1
InChIKeyMLYMOVNUUHOSHB-QNRRCFITSA-N
XLogP3.07
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
N-cycloheptyl-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25401084
N-(2-phenylbutyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46448013
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46530508
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7688372
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
N-(2-methyl-2-phenylpropyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55612692
N-(2-piperidin-1-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25333245
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
[2-(cyclopropylamino)-2-oxoethyl] 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652096
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785312

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 98726647) is N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N[C@@H]1CCN([C@H](C)c3ccccc3)C1)C2=O.
What is the InChIKey of N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is MLYMOVNUUHOSHB-QNRRCFITSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-17-12-24(3,4)16-25(13-17)22(31)29(23(32)27-25)15-21(30)26-20-10-11-28(14-20)18(2)19-8-6-5-7-9-19/h5-9,17-18,20H,10-16H2,1-4H3,(H,26,30)(H,27,32)/t17-,18-,20-,25+/m1/s1.
What are the key properties of N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 440.59 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 98726647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).