CID 67883485

C35H41N4O5Si — CID 67883485

IUPAC—
SMILESC[Si](C)[C@@]1(CCCN=C(NC(=O)Oc2ccccc2)NC(=O)Oc2ccccc2)C(=O)N(C(C)(C)C)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C35H41N4O5Si/c1-34(2,3)39-29(23-22-26-16-9-6-10-17-26)35(30(39)40,45(4)5)24-15-25-36-31(37-32(41)43-27-18-11-7-12-19-27)38-33(42)44-28-20-13-8-14-21-28/h6-14,16-23,29H,15,24-25H2,1-5H3,(H2,36,37,38,41,42)/b23-22+/t29-,35-/m1/s1
InChIKeyOUPPHRGENNBJSZ-FXXLAVNKSA-N
MW625.82 g/mol
LogP6.92
Rot. Bonds9

About CID 67883485

CID 67883485 (PubChem CID 67883485) has the molecular formula C35H41N4O5Si and a molecular weight of 625.82 g/mol.

Molecular Properties

Compound NameCID 67883485
PubChem CID67883485
Molecular FormulaC35H41N4O5Si
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name—
SMILESC[Si](C)[C@@]1(CCCN=C(NC(=O)Oc2ccccc2)NC(=O)Oc2ccccc2)C(=O)N(C(C)(C)C)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C35H41N4O5Si/c1-34(2,3)39-29(23-22-26-16-9-6-10-17-26)35(30(39)40,45(4)5)24-15-25-36-31(37-32(41)43-27-18-11-7-12-19-27)38-33(42)44-28-20-13-8-14-21-28/h6-14,16-23,29H,15,24-25H2,1-5H3,(H2,36,37,38,41,42)/b23-22+/t29-,35-/m1/s1
InChIKeyOUPPHRGENNBJSZ-FXXLAVNKSA-N
XLogP6.92
TPSA109.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N-[N'-[4-[(3R,4R)-1-[tert-butyl(dimethyl)silyl]-2-oxo-4-(2-phenylethenyl)azetidin-3-yl]butyl]-N-phenoxycarbonylcarbamimidoyl]carbamate
CID 54107307
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(N-tert-butyl-C-methylcarbonimidoyl)carbamate
CID 23660946
9H-fluoren-9-ylmethyl N-[5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-1-hydroxypentan-2-yl]carbamate
CID 22958055
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-(N-tert-butyl-C-phenylcarbonimidoyl)carbamate
CID 23660943
phenyl N-(C-benzyl-N-tert-butylcarbonimidoyl)carbamate
CID 23660949
(3R,4S)-1-benzyl-3-methoxy-3-methyl-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 134919598
1-tert-butyl-4-hydroxyimino-6-(2-phenylethenyl)piperidin-2-one
CID 3512009
phenyl N-[1-(hydroxymethyl)-4-methylcyclohexyl]carbamate
CID 62526000
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305

Frequently Asked Questions

What is the IUPAC name of CID 67883485?
The IUPAC name of CID 67883485 (CID 67883485) is not available.
What is the SMILES notation for CID 67883485?
The canonical SMILES for CID 67883485 is C[Si](C)[C@@]1(CCCN=C(NC(=O)Oc2ccccc2)NC(=O)Oc2ccccc2)C(=O)N(C(C)(C)C)[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of CID 67883485?
The InChIKey is OUPPHRGENNBJSZ-FXXLAVNKSA-N. The full InChI is InChI=1S/C35H41N4O5Si/c1-34(2,3)39-29(23-22-26-16-9-6-10-17-26)35(30(39)40,45(4)5)24-15-25-36-31(37-32(41)43-27-18-11-7-12-19-27)38-33(42)44-28-20-13-8-14-21-28/h6-14,16-23,29H,15,24-25H2,1-5H3,(H2,36,37,38,41,42)/b23-22+/t29-,35-/m1/s1.
What are the key properties of CID 67883485?
CID 67883485 has a molecular weight of 625.82 g/mol, XLogP of 6.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67883485 is sourced from PubChem (CID 67883485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).