CID 134941798

C18H27N2O3 — CID 134941798

IUPAC—
SMILESCc1ccc(CNC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)cc1
InChIInChI=1S/C18H27N2O3/c1-13-6-8-14(9-7-13)12-19-16(21)23-15-10-17(2,3)20(22)18(4,5)11-15/h6-9,15H,10-12H2,1-5H3,(H,19,21)
InChIKeyDIRDXVKSSDVWCQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.59
Rot. Bonds3

About CID 134941798

CID 134941798 (PubChem CID 134941798) has the molecular formula C18H27N2O3 and a molecular weight of 319.43 g/mol.

Molecular Properties

Compound NameCID 134941798
PubChem CID134941798
Molecular FormulaC18H27N2O3
Molecular Weight319.43 g/mol
Exact Mass319.20
IUPAC Name—
SMILESCc1ccc(CNC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)cc1
InChIInChI=1S/C18H27N2O3/c1-13-6-8-14(9-7-13)12-19-16(21)23-15-10-17(2,3)20(22)18(4,5)11-15/h6-9,15H,10-12H2,1-5H3,(H,19,21)
InChIKeyDIRDXVKSSDVWCQ-UHFFFAOYSA-N
XLogP3.59
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134941798?
The IUPAC name of CID 134941798 (CID 134941798) is not available.
What is the SMILES notation for CID 134941798?
The canonical SMILES for CID 134941798 is Cc1ccc(CNC(=O)OC2CC(C)(C)N([O])C(C)(C)C2)cc1.
What is the InChIKey of CID 134941798?
The InChIKey is DIRDXVKSSDVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N2O3/c1-13-6-8-14(9-7-13)12-19-16(21)23-15-10-17(2,3)20(22)18(4,5)11-15/h6-9,15H,10-12H2,1-5H3,(H,19,21).
What are the key properties of CID 134941798?
CID 134941798 has a molecular weight of 319.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134941798 is sourced from PubChem (CID 134941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).