N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide

C25H27N3O4 — CID 51928888

IUPACN-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O
InChIInChI=1S/C25H27N3O4/c1-17-9-7-8-15-25(17)23(31)28(24(32)27-25)16-14-21(29)26-20-13-6-5-12-19(20)22(30)18-10-3-2-4-11-18/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,26,29)(H,27,32)/t17-,25+/m0/s1
InChIKeyBTBJYRVOIKYQLH-SSOJOUAXSA-N
MW433.51 g/mol
LogP3.75
Rot. Bonds6

About N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide

N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide (PubChem CID 51928888) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide
PubChem CID51928888
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O
InChIInChI=1S/C25H27N3O4/c1-17-9-7-8-15-25(17)23(31)28(24(32)27-25)16-14-21(29)26-20-13-6-5-12-19(20)22(30)18-10-3-2-4-11-18/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,26,29)(H,27,32)/t17-,25+/m0/s1
InChIKeyBTBJYRVOIKYQLH-SSOJOUAXSA-N
XLogP3.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.75
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

N-(benzylcarbamoyl)-3-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 18134850
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 46436703
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 41192861
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4816565
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-(2-bromophenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703598
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40881474
N-[2-(dimethylamino)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43063970
N-(2-tert-butylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2643710
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2090503
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30656543

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide (CID 51928888) is N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide is C[C@H]1CCCC[C@@]12NC(=O)N(CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C2=O.
What is the InChIKey of N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is BTBJYRVOIKYQLH-SSOJOUAXSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17-9-7-8-15-25(17)23(31)28(24(32)27-25)16-14-21(29)26-20-13-6-5-12-19(20)22(30)18-10-3-2-4-11-18/h2-6,10-13,17H,7-9,14-16H2,1H3,(H,26,29)(H,27,32)/t17-,25+/m0/s1.
What are the key properties of N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide?
N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 433.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-3-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 51928888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).