CID 59039616

C12H25N2O2 — CID 59039616

IUPAC—
SMILESCCCCNC(=O)C(C)(C)N([O])C(C)(C)C
InChIInChI=1S/C12H25N2O2/c1-7-8-9-13-10(15)12(5,6)14(16)11(2,3)4/h7-9H2,1-6H3,(H,13,15)
InChIKeyFNZWMTKTDLGXDJ-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.13
Rot. Bonds5

About CID 59039616

CID 59039616 (PubChem CID 59039616) has the molecular formula C12H25N2O2 and a molecular weight of 229.34 g/mol.

Molecular Properties

Compound NameCID 59039616
PubChem CID59039616
Molecular FormulaC12H25N2O2
Molecular Weight229.34 g/mol
Exact Mass229.19
IUPAC Name—
SMILESCCCCNC(=O)C(C)(C)N([O])C(C)(C)C
InChIInChI=1S/C12H25N2O2/c1-7-8-9-13-10(15)12(5,6)14(16)11(2,3)4/h7-9H2,1-6H3,(H,13,15)
InChIKeyFNZWMTKTDLGXDJ-UHFFFAOYSA-N
XLogP2.13
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59039616?
The IUPAC name of CID 59039616 (CID 59039616) is not available.
What is the SMILES notation for CID 59039616?
The canonical SMILES for CID 59039616 is CCCCNC(=O)C(C)(C)N([O])C(C)(C)C.
What is the InChIKey of CID 59039616?
The InChIKey is FNZWMTKTDLGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O2/c1-7-8-9-13-10(15)12(5,6)14(16)11(2,3)4/h7-9H2,1-6H3,(H,13,15).
What are the key properties of CID 59039616?
CID 59039616 has a molecular weight of 229.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59039616 is sourced from PubChem (CID 59039616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).