CID 174983568

C17H29N2O3Si — CID 174983568

IUPAC—
SMILESC=CC(N)=O.C[Si](C)N(CCc1ccc(O)c(O)c1)C(C)(C)C
InChIInChI=1S/C14H24NO2Si.C3H5NO/c1-14(2,3)15(18(4)5)9-8-11-6-7-12(16)13(17)10-11;1-2-3(4)5/h6-7,10,16-17H,8-9H2,1-5H3;2H,1H2,(H2,4,5)
InChIKeyJJSPWYAPABEPNC-UHFFFAOYSA-N
MW337.52 g/mol
LogP2.65
Rot. Bonds5

About CID 174983568

CID 174983568 (PubChem CID 174983568) has the molecular formula C17H29N2O3Si and a molecular weight of 337.52 g/mol.

Molecular Properties

Compound NameCID 174983568
PubChem CID174983568
Molecular FormulaC17H29N2O3Si
Molecular Weight337.52 g/mol
Exact Mass337.19
IUPAC Name—
SMILESC=CC(N)=O.C[Si](C)N(CCc1ccc(O)c(O)c1)C(C)(C)C
InChIInChI=1S/C14H24NO2Si.C3H5NO/c1-14(2,3)15(18(4)5)9-8-11-6-7-12(16)13(17)10-11;1-2-3(4)5/h6-7,10,16-17H,8-9H2,1-5H3;2H,1H2,(H2,4,5)
InChIKeyJJSPWYAPABEPNC-UHFFFAOYSA-N
XLogP2.65
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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[acetyloxy-[2-(3,4-dihydroxyphenyl)ethyl]amino] acetate
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prop-2-enyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
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(3R)-3-amino-4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
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CID 174070763
CID 174070763
4-[2-[ethyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
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4-[2-[[bis(2-hydroxyethyl)amino]-methylamino]ethyl]benzene-1,2-diol
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4-(2-aminoethyl)benzene-1,2-diol;N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
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3-(3,4-dihydroxyphenyl)propanethioic S-acid
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Frequently Asked Questions

What is the IUPAC name of CID 174983568?
The IUPAC name of CID 174983568 (CID 174983568) is not available.
What is the SMILES notation for CID 174983568?
The canonical SMILES for CID 174983568 is C=CC(N)=O.C[Si](C)N(CCc1ccc(O)c(O)c1)C(C)(C)C.
What is the InChIKey of CID 174983568?
The InChIKey is JJSPWYAPABEPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO2Si.C3H5NO/c1-14(2,3)15(18(4)5)9-8-11-6-7-12(16)13(17)10-11;1-2-3(4)5/h6-7,10,16-17H,8-9H2,1-5H3;2H,1H2,(H2,4,5).
What are the key properties of CID 174983568?
CID 174983568 has a molecular weight of 337.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174983568 is sourced from PubChem (CID 174983568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).