8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C23H27ClN4O3 — CID 166598743

IUPAC8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)[C@@H](N)c3ccccc3)CC2)C1=O.Cl
InChIInChI=1S/C23H26N4O3.ClH/c1-25-21(29)23(27(22(25)30)16-17-8-4-2-5-9-17)12-14-26(15-13-23)20(28)19(24)18-10-6-3-7-11-18;/h2-11,19H,12-16,24H2,1H3;1H/t19-;/m0./s1
InChIKeyNUOWDRSFSLDVJW-FYZYNONXSA-N
MW442.95 g/mol
LogP2.56
Rot. Bonds4

About 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 166598743) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID166598743
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)[C@@H](N)c3ccccc3)CC2)C1=O.Cl
InChIInChI=1S/C23H26N4O3.ClH/c1-25-21(29)23(27(22(25)30)16-17-8-4-2-5-9-17)12-14-26(15-13-23)20(28)19(24)18-10-6-3-7-11-18;/h2-11,19H,12-16,24H2,1H3;1H/t19-;/m0./s1
InChIKeyNUOWDRSFSLDVJW-FYZYNONXSA-N
XLogP2.56
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
1-benzyl-3-methyl-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420624
1-benzyl-3-methyl-8-(2H-triazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427262
1-benzyl-3-methyl-8-(1-methylimidazole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427381
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146896
1-benzyl-3-methyl-8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418741
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
CID 119315120

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 166598743) is 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is CN1C(=O)N(Cc2ccccc2)C2(CCN(C(=O)[C@@H](N)c3ccccc3)CC2)C1=O.Cl.
What is the InChIKey of 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is NUOWDRSFSLDVJW-FYZYNONXSA-N. The full InChI is InChI=1S/C23H26N4O3.ClH/c1-25-21(29)23(27(22(25)30)16-17-8-4-2-5-9-17)12-14-26(15-13-23)20(28)19(24)18-10-6-3-7-11-18;/h2-11,19H,12-16,24H2,1H3;1H/t19-;/m0./s1.
What are the key properties of 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 442.95 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 166598743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).