2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

C26H29N3O4 — CID 41208643

IUPAC2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C26H29N3O4/c1-18(19-10-4-2-5-11-19)27-24(32)20-12-6-7-13-21(20)28-22(30)17-29-23(31)16-26(25(29)33)14-8-3-9-15-26/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3,(H,27,32)(H,28,30)/t18-/m0/s1
InChIKeyLXOQCGFRPNNSNB-SFHVURJKSA-N
MW447.54 g/mol
LogP3.83
Rot. Bonds6

About 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide

2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 41208643) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID41208643
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1
InChIInChI=1S/C26H29N3O4/c1-18(19-10-4-2-5-11-19)27-24(32)20-12-6-7-13-21(20)28-22(30)17-29-23(31)16-26(25(29)33)14-8-3-9-15-26/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3,(H,27,32)(H,28,30)/t18-/m0/s1
InChIKeyLXOQCGFRPNNSNB-SFHVURJKSA-N
XLogP3.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 51486000
2-[[2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2454039
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-[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 124823995
2-[[2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 46696756
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide (CID 41208643) is 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1.
What is the InChIKey of 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is LXOQCGFRPNNSNB-SFHVURJKSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-18(19-10-4-2-5-11-19)27-24(32)20-12-6-7-13-21(20)28-22(30)17-29-23(31)16-26(25(29)33)14-8-3-9-15-26/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3,(H,27,32)(H,28,30)/t18-/m0/s1.
What are the key properties of 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 41208643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).