oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine

C19H25NO5 — CID 70684170

IUPACoxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC/C=C/c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H23NO.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/h3-11H,1-2,12-16H2;(H,3,4)(H,5,6)/b11-8+;
InChIKeyJGWJEKJRKYBQJR-YGCVIUNWSA-N
MW347.41 g/mol
LogP2.55
Rot. Bonds10

About oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine

oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 70684170) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameoxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID70684170
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameoxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOC/C=C/c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H23NO.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/h3-11H,1-2,12-16H2;(H,3,4)(H,5,6)/b11-8+;
InChIKeyJGWJEKJRKYBQJR-YGCVIUNWSA-N
XLogP2.55
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 21363188
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CID 44346540
oxalic acid;propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 44346586
ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate;oxalic acid
CID 44346588
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CID 16682432
2-Propenoic acid, 3-phenyl-, 2-(dimethylamino)ethyl ester
CID 422218
2-(dimethylamino)ethyl (2E)-3-phenylprop-2-enoate
CID 1551581
N-methyl-2-phenyl-N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]ethanamine;oxalic acid
CID 70682046
N-butyl-N-[2-(3-phenylpropoxy)ethyl]butan-1-amine;oxalic acid
CID 70684164
N-methyl-3-phenyl-N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]propan-1-amine;oxalic acid
CID 70684166
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CID 70692612

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 70684170) is oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOC/C=C/c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is JGWJEKJRKYBQJR-YGCVIUNWSA-N. The full InChI is InChI=1S/C17H23NO.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/h3-11H,1-2,12-16H2;(H,3,4)(H,5,6)/b11-8+;.
What are the key properties of oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine?
oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 347.41 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 70684170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).