CID 156839173

C25H25N2OSi — CID 156839173

IUPAC—
SMILESCC12C(CNC[C@H]1c1ccccc1)[Si]2C(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H25N2OSi/c1-25-22(19-11-6-3-7-12-19)16-26-17-23(25)29(25)24(28)27-21-14-8-13-20(15-21)18-9-4-2-5-10-18/h2-15,22-23,26H,16-17H2,1H3,(H,27,28)/t22-,23?,25?/m0/s1
InChIKeyIMKAUWCLHSGDIR-ICXLUZGWSA-N
MW397.57 g/mol
LogP5.49
Rot. Bonds4

About CID 156839173

CID 156839173 (PubChem CID 156839173) has the molecular formula C25H25N2OSi and a molecular weight of 397.57 g/mol.

Molecular Properties

Compound NameCID 156839173
PubChem CID156839173
Molecular FormulaC25H25N2OSi
Molecular Weight397.57 g/mol
Exact Mass397.17
IUPAC Name—
SMILESCC12C(CNC[C@H]1c1ccccc1)[Si]2C(=O)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H25N2OSi/c1-25-22(19-11-6-3-7-12-19)16-26-17-23(25)29(25)24(28)27-21-14-8-13-20(15-21)18-9-4-2-5-10-18/h2-15,22-23,26H,16-17H2,1H3,(H,27,28)/t22-,23?,25?/m0/s1
InChIKeyIMKAUWCLHSGDIR-ICXLUZGWSA-N
XLogP5.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-(3-pyrimidin-5-ylphenyl)pyrrolidine-3-carboxamide
CID 156839359
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533
(3R,4S)-4-(2-fluorophenyl)-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 166790335
(3-phenylphenyl)carbamic acid
CID 611602
(3S,4R)-4-phenyl-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 158843512
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
3-(3-phenylphenyl)azetidine;hydrochloride
CID 154791407
(3R,4R)-4-methyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 166803782
N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119708664
4-[3-[[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]phenyl]benzoic acid
CID 57474912

Frequently Asked Questions

What is the IUPAC name of CID 156839173?
The IUPAC name of CID 156839173 (CID 156839173) is not available.
What is the SMILES notation for CID 156839173?
The canonical SMILES for CID 156839173 is CC12C(CNC[C@H]1c1ccccc1)[Si]2C(=O)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of CID 156839173?
The InChIKey is IMKAUWCLHSGDIR-ICXLUZGWSA-N. The full InChI is InChI=1S/C25H25N2OSi/c1-25-22(19-11-6-3-7-12-19)16-26-17-23(25)29(25)24(28)27-21-14-8-13-20(15-21)18-9-4-2-5-10-18/h2-15,22-23,26H,16-17H2,1H3,(H,27,28)/t22-,23?,25?/m0/s1.
What are the key properties of CID 156839173?
CID 156839173 has a molecular weight of 397.57 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156839173 is sourced from PubChem (CID 156839173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).