CID 174604902

C20H32NO5Sn — CID 174604902

IUPAC—
SMILESC[Sn](C)C(=O)CCCOc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H26NO5.2CH3.Sn/c1-18(2,3)24-17(22)19-10-9-16(21)14-7-6-8-15(13-14)23-12-5-4-11-20;;;/h6-8,13,16,21H,4-5,9-10,12H2,1-3H3,(H,19,22);2*1H3;
InChIKeyUIBWEFOQGXUJRT-UHFFFAOYSA-N
MW485.19 g/mol
LogP3.66
Rot. Bonds10

About CID 174604902

CID 174604902 (PubChem CID 174604902) has the molecular formula C20H32NO5Sn and a molecular weight of 485.19 g/mol.

Molecular Properties

Compound NameCID 174604902
PubChem CID174604902
Molecular FormulaC20H32NO5Sn
Molecular Weight485.19 g/mol
Exact Mass486.13
IUPAC Name—
SMILESC[Sn](C)C(=O)CCCOc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H26NO5.2CH3.Sn/c1-18(2,3)24-17(22)19-10-9-16(21)14-7-6-8-15(13-14)23-12-5-4-11-20;;;/h6-8,13,16,21H,4-5,9-10,12H2,1-3H3,(H,19,22);2*1H3;
InChIKeyUIBWEFOQGXUJRT-UHFFFAOYSA-N
XLogP3.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174604902?
The IUPAC name of CID 174604902 (CID 174604902) is not available.
What is the SMILES notation for CID 174604902?
The canonical SMILES for CID 174604902 is C[Sn](C)C(=O)CCCOc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of CID 174604902?
The InChIKey is UIBWEFOQGXUJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26NO5.2CH3.Sn/c1-18(2,3)24-17(22)19-10-9-16(21)14-7-6-8-15(13-14)23-12-5-4-11-20;;;/h6-8,13,16,21H,4-5,9-10,12H2,1-3H3,(H,19,22);2*1H3;.
What are the key properties of CID 174604902?
CID 174604902 has a molecular weight of 485.19 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174604902 is sourced from PubChem (CID 174604902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).