CID 67692430

C27H39N2O5Si — CID 67692430

IUPAC—
SMILESC[C@@H](C(=O)N1C(=O)c2ccccc2OC12CCCCC2)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[Si](C)C)C(C)(C)C
InChIInChI=1S/C27H39N2O5Si/c1-17(21-20(22(30)28-21)26(5,25(2,3)4)34-35(6)7)23(31)29-24(32)18-13-9-10-14-19(18)33-27(29)15-11-8-12-16-27/h9-10,13-14,17,20-21H,8,11-12,15-16H2,1-7H3,(H,28,30)/t17-,20-,21-,26-/m1/s1
InChIKeyBYVQTTJPMQWWRQ-VLTRPUBQSA-N
MW499.70 g/mol
LogP4.53
Rot. Bonds5

About CID 67692430

CID 67692430 (PubChem CID 67692430) has the molecular formula C27H39N2O5Si and a molecular weight of 499.70 g/mol.

Molecular Properties

Compound NameCID 67692430
PubChem CID67692430
Molecular FormulaC27H39N2O5Si
Molecular Weight499.70 g/mol
Exact Mass499.26
IUPAC Name—
SMILESC[C@@H](C(=O)N1C(=O)c2ccccc2OC12CCCCC2)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[Si](C)C)C(C)(C)C
InChIInChI=1S/C27H39N2O5Si/c1-17(21-20(22(30)28-21)26(5,25(2,3)4)34-35(6)7)23(31)29-24(32)18-13-9-10-14-19(18)33-27(29)15-11-8-12-16-27/h9-10,13-14,17,20-21H,8,11-12,15-16H2,1-7H3,(H,28,30)/t17-,20-,21-,26-/m1/s1
InChIKeyBYVQTTJPMQWWRQ-VLTRPUBQSA-N
XLogP4.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.70
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-[(2R,3S)-3-[2-[dimethyl(2-methylpropyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 70166092
methyl 5-[2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-4-oxo-3-phenyl-1-oxa-5-azaspiro[5.5]undec-2-ene-2-carboxylate
CID 20760826
3-[2-[(2R,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoyl]-2-methyl-2-(2-methylpropyl)-1,3-benzoxazin-4-one
CID 67643755
(2R,2'R,5'S)-5'-methyl-3-[(2R)-2-[(2S)-4-oxoazetidin-2-yl]propanoyl]-2'-propan-2-ylspiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 11025733
tert-butyl 6-methyl-4-oxospiro[1,3-benzoxazine-2,4'-piperidine]-3-carboxylate
CID 91268486
2,2-ditert-butyl-3-methyl-1,3-benzoxazin-4-one
CID 58564303
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
(1'S,2R,5'R,6'R)-4-oxo-N-propan-2-ylspiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 92580086
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743

Frequently Asked Questions

What is the IUPAC name of CID 67692430?
The IUPAC name of CID 67692430 (CID 67692430) is not available.
What is the SMILES notation for CID 67692430?
The canonical SMILES for CID 67692430 is C[C@@H](C(=O)N1C(=O)c2ccccc2OC12CCCCC2)[C@H]1NC(=O)[C@@H]1[C@@](C)(O[Si](C)C)C(C)(C)C.
What is the InChIKey of CID 67692430?
The InChIKey is BYVQTTJPMQWWRQ-VLTRPUBQSA-N. The full InChI is InChI=1S/C27H39N2O5Si/c1-17(21-20(22(30)28-21)26(5,25(2,3)4)34-35(6)7)23(31)29-24(32)18-13-9-10-14-19(18)33-27(29)15-11-8-12-16-27/h9-10,13-14,17,20-21H,8,11-12,15-16H2,1-7H3,(H,28,30)/t17-,20-,21-,26-/m1/s1.
What are the key properties of CID 67692430?
CID 67692430 has a molecular weight of 499.70 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67692430 is sourced from PubChem (CID 67692430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).