CID 122234032

C19H30N5O6 — CID 122234032

IUPAC—
SMILESCC1(C)CC(NC(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)CC(C)(C)N1[O]
InChIInChI=1S/C19H30N5O6/c1-18(2)8-11(9-19(3,4)24(18)29)20-16(27)21-14-5-6-23(17(28)22-14)15-7-12(26)13(10-25)30-15/h5-6,11-13,15,25-26H,7-10H2,1-4H3,(H2,20,21,22,27,28)/t12-,13+,15+/m0/s1
InChIKeyZQBWSUALACNOFY-GZBFAFLISA-N
MW424.48 g/mol
LogP0.37
Rot. Bonds4

About CID 122234032

CID 122234032 (PubChem CID 122234032) has the molecular formula C19H30N5O6 and a molecular weight of 424.48 g/mol.

Molecular Properties

Compound NameCID 122234032
PubChem CID122234032
Molecular FormulaC19H30N5O6
Molecular Weight424.48 g/mol
Exact Mass424.22
IUPAC Name—
SMILESCC1(C)CC(NC(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)CC(C)(C)N1[O]
InChIInChI=1S/C19H30N5O6/c1-18(2)8-11(9-19(3,4)24(18)29)20-16(27)21-14-5-6-23(17(28)22-14)15-7-12(26)13(10-25)30-15/h5-6,11-13,15,25-26H,7-10H2,1-4H3,(H2,20,21,22,27,28)/t12-,13+,15+/m0/s1
InChIKeyZQBWSUALACNOFY-GZBFAFLISA-N
XLogP0.37
TPSA148.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 122234032?
The IUPAC name of CID 122234032 (CID 122234032) is not available.
What is the SMILES notation for CID 122234032?
The canonical SMILES for CID 122234032 is CC1(C)CC(NC(=O)Nc2ccn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)n2)CC(C)(C)N1[O].
What is the InChIKey of CID 122234032?
The InChIKey is ZQBWSUALACNOFY-GZBFAFLISA-N. The full InChI is InChI=1S/C19H30N5O6/c1-18(2)8-11(9-19(3,4)24(18)29)20-16(27)21-14-5-6-23(17(28)22-14)15-7-12(26)13(10-25)30-15/h5-6,11-13,15,25-26H,7-10H2,1-4H3,(H2,20,21,22,27,28)/t12-,13+,15+/m0/s1.
What are the key properties of CID 122234032?
CID 122234032 has a molecular weight of 424.48 g/mol, XLogP of 0.37, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122234032 is sourced from PubChem (CID 122234032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).