CID 58463157

C18H27N3O8 — CID 58463157

IUPAC—
SMILES[CH]CCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCO)c1=O
InChIInChI=1S/C18H27N3O8/c1-4-5-12(2)28-14(23)6-9-20-16(25)19-17(26)21(18(20)27)10-7-15(24)29-13(3)8-11-22/h1,12-13,22H,4-11H2,2-3H3,(H,19,25,26)
InChIKeyILQYNEXMNZLYLY-UHFFFAOYSA-N
MW413.43 g/mol
LogP-0.78
Rot. Bonds12

About CID 58463157

CID 58463157 (PubChem CID 58463157) has the molecular formula C18H27N3O8 and a molecular weight of 413.43 g/mol.

Molecular Properties

Compound NameCID 58463157
PubChem CID58463157
Molecular FormulaC18H27N3O8
Molecular Weight413.43 g/mol
Exact Mass413.18
IUPAC Name—
SMILES[CH]CCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCO)c1=O
InChIInChI=1S/C18H27N3O8/c1-4-5-12(2)28-14(23)6-9-20-16(25)19-17(26)21(18(20)27)10-7-15(24)29-13(3)8-11-22/h1,12-13,22H,4-11H2,2-3H3,(H,19,25,26)
InChIKeyILQYNEXMNZLYLY-UHFFFAOYSA-N
XLogP-0.78
TPSA149.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze CID 58463157 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazine-1,3(2H,4H)-dipropanoic acid, dihydro-2,4,6-trioxo-, 1,3-dibutyl ester
CID 58133244
(2-Hydroxy-3-methoxypropyl) 3-[2,4,6-trioxo-3-(3-oxobutyl)-1,3,5-triazinan-1-yl]propanoate
CID 58133252
CID 58463153
CID 58463153
CID 58463161
CID 58463161
CID 58463163
CID 58463163
CID 58463164
CID 58463164
CID 58463169
CID 58463169
CID 58463172
CID 58463172
CID 58463174
CID 58463174
CID 58463175
CID 58463175
CID 58463176
CID 58463176
CID 58463179
CID 58463179

Frequently Asked Questions

What is the IUPAC name of CID 58463157?
The IUPAC name of CID 58463157 (CID 58463157) is not available.
What is the SMILES notation for CID 58463157?
The canonical SMILES for CID 58463157 is [CH]CCC(C)OC(=O)CCn1c(=O)[nH]c(=O)n(CCC(=O)OC(C)CCO)c1=O.
What is the InChIKey of CID 58463157?
The InChIKey is ILQYNEXMNZLYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O8/c1-4-5-12(2)28-14(23)6-9-20-16(25)19-17(26)21(18(20)27)10-7-15(24)29-13(3)8-11-22/h1,12-13,22H,4-11H2,2-3H3,(H,19,25,26).
What are the key properties of CID 58463157?
CID 58463157 has a molecular weight of 413.43 g/mol, XLogP of -0.78, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58463157 is sourced from PubChem (CID 58463157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).