CID 144782991

C17H29N2O3 — CID 144782991

IUPAC—
SMILESCC(C)(C)C1=C[CH]1.CON(C)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3.C7H11/c1-8(13)12-6-4-9(5-7-12)10(14)11(2)15-3;1-7(2,3)6-4-5-6/h9H,4-7H2,1-3H3;4-5H,1-3H3
InChIKeyUXEPJYNELKPRFU-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.44
Rot. Bonds2

About CID 144782991

CID 144782991 (PubChem CID 144782991) has the molecular formula C17H29N2O3 and a molecular weight of 309.43 g/mol.

Molecular Properties

Compound NameCID 144782991
PubChem CID144782991
Molecular FormulaC17H29N2O3
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC Name—
SMILESCC(C)(C)C1=C[CH]1.CON(C)C(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3.C7H11/c1-8(13)12-6-4-9(5-7-12)10(14)11(2)15-3;1-7(2,3)6-4-5-6/h9H,4-7H2,1-3H3;4-5H,1-3H3
InChIKeyUXEPJYNELKPRFU-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 144782991?
The IUPAC name of CID 144782991 (CID 144782991) is not available.
What is the SMILES notation for CID 144782991?
The canonical SMILES for CID 144782991 is CC(C)(C)C1=C[CH]1.CON(C)C(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of CID 144782991?
The InChIKey is UXEPJYNELKPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.C7H11/c1-8(13)12-6-4-9(5-7-12)10(14)11(2)15-3;1-7(2,3)6-4-5-6/h9H,4-7H2,1-3H3;4-5H,1-3H3.
What are the key properties of CID 144782991?
CID 144782991 has a molecular weight of 309.43 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144782991 is sourced from PubChem (CID 144782991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).