CID 58463172

C20H31N3O8 — CID 58463172

IUPAC—
SMILES[CH]CCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCO)c1=O
InChIInChI=1S/C20H31N3O8/c1-4-5-7-14(2)30-16(25)9-11-22-18(27)21-19(28)23(20(22)29)12-10-17(26)31-15(3)8-6-13-24/h1,14-15,24H,4-13H2,2-3H3,(H,21,27,28)
InChIKeyGBWMFCWLSKMJCD-UHFFFAOYSA-N
MW441.48 g/mol
LogP-0.00
Rot. Bonds14

About CID 58463172

CID 58463172 (PubChem CID 58463172) has the molecular formula C20H31N3O8 and a molecular weight of 441.48 g/mol.

Molecular Properties

Compound NameCID 58463172
PubChem CID58463172
Molecular FormulaC20H31N3O8
Molecular Weight441.48 g/mol
Exact Mass441.21
IUPAC Name—
SMILES[CH]CCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCO)c1=O
InChIInChI=1S/C20H31N3O8/c1-4-5-7-14(2)30-16(25)9-11-22-18(27)21-19(28)23(20(22)29)12-10-17(26)31-15(3)8-6-13-24/h1,14-15,24H,4-13H2,2-3H3,(H,21,27,28)
InChIKeyGBWMFCWLSKMJCD-UHFFFAOYSA-N
XLogP-0.00
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of CID 58463172?
The IUPAC name of CID 58463172 (CID 58463172) is not available.
What is the SMILES notation for CID 58463172?
The canonical SMILES for CID 58463172 is [CH]CCCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCCO)c1=O.
What is the InChIKey of CID 58463172?
The InChIKey is GBWMFCWLSKMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O8/c1-4-5-7-14(2)30-16(25)9-11-22-18(27)21-19(28)23(20(22)29)12-10-17(26)31-15(3)8-6-13-24/h1,14-15,24H,4-13H2,2-3H3,(H,21,27,28).
What are the key properties of CID 58463172?
CID 58463172 has a molecular weight of 441.48 g/mol, XLogP of -0.00, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463172 is sourced from PubChem (CID 58463172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).