CID 101344483

C18H31N2O4 — CID 101344483

IUPAC—
SMILESCC(=O)OC1(C(=O)NC2CC(C)(C)N([O])C(C)(C)C2)CCCCC1
InChIInChI=1S/C18H31N2O4/c1-13(21)24-18(9-7-6-8-10-18)15(22)19-14-11-16(2,3)20(23)17(4,5)12-14/h14H,6-12H2,1-5H3,(H,19,22)
InChIKeyCBGBKMIAGFIPDQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.74
Rot. Bonds3

About CID 101344483

CID 101344483 (PubChem CID 101344483) has the molecular formula C18H31N2O4 and a molecular weight of 339.46 g/mol.

Molecular Properties

Compound NameCID 101344483
PubChem CID101344483
Molecular FormulaC18H31N2O4
Molecular Weight339.46 g/mol
Exact Mass339.23
IUPAC Name—
SMILESCC(=O)OC1(C(=O)NC2CC(C)(C)N([O])C(C)(C)C2)CCCCC1
InChIInChI=1S/C18H31N2O4/c1-13(21)24-18(9-7-6-8-10-18)15(22)19-14-11-16(2,3)20(23)17(4,5)12-14/h14H,6-12H2,1-5H3,(H,19,22)
InChIKeyCBGBKMIAGFIPDQ-UHFFFAOYSA-N
XLogP2.74
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 101344483?
The IUPAC name of CID 101344483 (CID 101344483) is not available.
What is the SMILES notation for CID 101344483?
The canonical SMILES for CID 101344483 is CC(=O)OC1(C(=O)NC2CC(C)(C)N([O])C(C)(C)C2)CCCCC1.
What is the InChIKey of CID 101344483?
The InChIKey is CBGBKMIAGFIPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N2O4/c1-13(21)24-18(9-7-6-8-10-18)15(22)19-14-11-16(2,3)20(23)17(4,5)12-14/h14H,6-12H2,1-5H3,(H,19,22).
What are the key properties of CID 101344483?
CID 101344483 has a molecular weight of 339.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101344483 is sourced from PubChem (CID 101344483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).