CID 24887156

C30H29FeNO4+2 — CID 24887156

IUPAC—
SMILESC[C@H](C(=O)N1C(=O)O[C@@H]([C]2[CH][CH][CH][CH]2)[C@H]1Cc1ccccc1)[C@@H](O)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C25H24NO4.C5H5.Fe/c1-17(22(27)19-12-6-3-7-13-19)24(28)26-21(16-18-10-4-2-5-11-18)23(30-25(26)29)20-14-8-9-15-20;1-2-4-5-3-1;/h2-15,17,21-23,27H,16H2,1H3;1-5H;/q;;+2/t17-,21+,22+,23-;;/m0../s1
InChIKeyMTZDAUCSCNTXBL-ZTCYHRLJSA-N
MW523.41 g/mol
LogP4.74
Rot. Bonds6

About CID 24887156

CID 24887156 (PubChem CID 24887156) has the molecular formula C30H29FeNO4+2 and a molecular weight of 523.41 g/mol.

Molecular Properties

Compound NameCID 24887156
PubChem CID24887156
Molecular FormulaC30H29FeNO4+2
Molecular Weight523.41 g/mol
Exact Mass523.14
IUPAC Name—
SMILESC[C@H](C(=O)N1C(=O)O[C@@H]([C]2[CH][CH][CH][CH]2)[C@H]1Cc1ccccc1)[C@@H](O)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C25H24NO4.C5H5.Fe/c1-17(22(27)19-12-6-3-7-13-19)24(28)26-21(16-18-10-4-2-5-11-18)23(30-25(26)29)20-14-8-9-15-20;1-2-4-5-3-1;/h2-15,17,21-23,27H,16H2,1H3;1-5H;/q;;+2/t17-,21+,22+,23-;;/m0../s1
InChIKeyMTZDAUCSCNTXBL-ZTCYHRLJSA-N
XLogP4.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
4-benzyl-3-[(2R,3R)-3-(3-bromophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 68773458
(3aR,7aR)-1,3-bis[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 15177570
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
(2S,3S)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-(4-bromophenyl)-3-hydroxy-2-methylpropan-1-one
CID 135019859
(4S,5S)-4-benzyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-propanoyl-1,3-oxazolidin-2-one
CID 11215937
(4R)-4-benzyl-3-[(E,2S,3S)-3-hydroxy-2-methylhex-4-enoyl]-1,3-oxazolidin-2-one
CID 11266657
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-3-(3-methoxy-4-phenylmethoxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 11576507
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921

Frequently Asked Questions

What is the IUPAC name of CID 24887156?
The IUPAC name of CID 24887156 (CID 24887156) is not available.
What is the SMILES notation for CID 24887156?
The canonical SMILES for CID 24887156 is C[C@H](C(=O)N1C(=O)O[C@@H]([C]2[CH][CH][CH][CH]2)[C@H]1Cc1ccccc1)[C@@H](O)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 24887156?
The InChIKey is MTZDAUCSCNTXBL-ZTCYHRLJSA-N. The full InChI is InChI=1S/C25H24NO4.C5H5.Fe/c1-17(22(27)19-12-6-3-7-13-19)24(28)26-21(16-18-10-4-2-5-11-18)23(30-25(26)29)20-14-8-9-15-20;1-2-4-5-3-1;/h2-15,17,21-23,27H,16H2,1H3;1-5H;/q;;+2/t17-,21+,22+,23-;;/m0../s1.
What are the key properties of CID 24887156?
CID 24887156 has a molecular weight of 523.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24887156 is sourced from PubChem (CID 24887156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).