CID 156883803

C23H33N2O5Si — CID 156883803

IUPAC—
SMILESCOC(=O)[Si](CCC(=O)N1CCOc2ccccc2C1)NC(=O)CCC1CCCCC1
InChIInChI=1S/C23H33N2O5Si/c1-29-23(28)31(24-21(26)12-11-18-7-3-2-4-8-18)16-13-22(27)25-14-15-30-20-10-6-5-9-19(20)17-25/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3,(H,24,26)
InChIKeyJKGCCAHUEWCDGB-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.61
Rot. Bonds8

About CID 156883803

CID 156883803 (PubChem CID 156883803) has the molecular formula C23H33N2O5Si and a molecular weight of 445.61 g/mol.

Molecular Properties

Compound NameCID 156883803
PubChem CID156883803
Molecular FormulaC23H33N2O5Si
Molecular Weight445.61 g/mol
Exact Mass445.22
IUPAC Name—
SMILESCOC(=O)[Si](CCC(=O)N1CCOc2ccccc2C1)NC(=O)CCC1CCCCC1
InChIInChI=1S/C23H33N2O5Si/c1-29-23(28)31(24-21(26)12-11-18-7-3-2-4-8-18)16-13-22(27)25-14-15-30-20-10-6-5-9-19(20)17-25/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3,(H,24,26)
InChIKeyJKGCCAHUEWCDGB-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.61
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

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methyl (2S)-2-amino-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-oxopentanoate;hydrochloride
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propyl N-[3-cyclohexyl-1-[[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 175380080
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 50840918
ethyl 3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 61068779
(2S)-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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2-amino-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-oxopentanoic acid
CID 166748781
3-[3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl(ethyl)amino]propanoic acid
CID 63190578
3-cyclopentyl-1-[5-[(4-methoxyphenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]propan-1-one
CID 110067221
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N'-hydroxy-3-oxopropanimidamide
CID 76988166
1-[18,39-di(dodecanoyl)-4,26,31-trioxa-1,12,15,18,39-pentazapentacyclo[13.13.13.05,10.020,25.032,37]hentetraconta-5,7,9,20,22,24,32,34,36-nonaen-12-yl]dodecan-1-one
CID 101051038
2-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonylamino)-3-methoxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 156883803?
The IUPAC name of CID 156883803 (CID 156883803) is not available.
What is the SMILES notation for CID 156883803?
The canonical SMILES for CID 156883803 is COC(=O)[Si](CCC(=O)N1CCOc2ccccc2C1)NC(=O)CCC1CCCCC1.
What is the InChIKey of CID 156883803?
The InChIKey is JKGCCAHUEWCDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N2O5Si/c1-29-23(28)31(24-21(26)12-11-18-7-3-2-4-8-18)16-13-22(27)25-14-15-30-20-10-6-5-9-19(20)17-25/h5-6,9-10,18H,2-4,7-8,11-17H2,1H3,(H,24,26).
What are the key properties of CID 156883803?
CID 156883803 has a molecular weight of 445.61 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156883803 is sourced from PubChem (CID 156883803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).