oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine

C19H31NO5 — CID 70684168

IUPACoxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOCCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H29NO.C2H2O4/c1-3-12-18(13-4-2)14-16-19-15-8-11-17-9-6-5-7-10-17;3-1(4)2(5)6/h5-7,9-10H,3-4,8,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyQWWHFMBZJXUALY-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.91
Rot. Bonds11

About oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine

oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine (PubChem CID 70684168) has the molecular formula C19H31NO5 and a molecular weight of 353.46 g/mol. Its IUPAC name is oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Nameoxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine
PubChem CID70684168
Molecular FormulaC19H31NO5
Molecular Weight353.46 g/mol
Exact Mass353.22
IUPAC Nameoxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOCCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H29NO.C2H2O4/c1-3-12-18(13-4-2)14-16-19-15-8-11-17-9-6-5-7-10-17;3-1(4)2(5)6/h5-7,9-10H,3-4,8,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyQWWHFMBZJXUALY-UHFFFAOYSA-N
XLogP2.91
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine?
The IUPAC name of oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine (CID 70684168) is oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine?
The canonical SMILES for oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCOCCCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine?
The InChIKey is QWWHFMBZJXUALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO.C2H2O4/c1-3-12-18(13-4-2)14-16-19-15-8-11-17-9-6-5-7-10-17;3-1(4)2(5)6/h5-7,9-10H,3-4,8,11-16H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine?
oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine has a molecular weight of 353.46 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[2-(3-phenylpropoxy)ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 70684168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).