oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine

C18H27NO5 — CID 16682039

IUPACoxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine
SMILESCC(C)C1CC(CCN)(c2ccccc2)CCO1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO.C2H2O4/c1-13(2)15-12-16(8-10-17,9-11-18-15)14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13,15H,8-12,17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZOVSBXUPRYLEAM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.26
Rot. Bonds4

About oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine

oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine (PubChem CID 16682039) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine.

Molecular Properties

Compound Nameoxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine
PubChem CID16682039
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameoxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine
SMILESCC(C)C1CC(CCN)(c2ccccc2)CCO1.O=C(O)C(=O)O
InChIInChI=1S/C16H25NO.C2H2O4/c1-13(2)15-12-16(8-10-17,9-11-18-15)14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13,15H,8-12,17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyZOVSBXUPRYLEAM-UHFFFAOYSA-N
XLogP2.26
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine?
The IUPAC name of oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine (CID 16682039) is oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine.
What is the SMILES notation for oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine?
The canonical SMILES for oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine is CC(C)C1CC(CCN)(c2ccccc2)CCO1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine?
The InChIKey is ZOVSBXUPRYLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C2H2O4/c1-13(2)15-12-16(8-10-17,9-11-18-15)14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13,15H,8-12,17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine?
oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine has a molecular weight of 337.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(4-phenyl-2-propan-2-yloxan-4-yl)ethanamine is sourced from PubChem (CID 16682039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).