N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid

C20H23NO5 — CID 2923807

IUPACN-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid
SMILESC=CCN(CC=C)CCOc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C18H21NO.C2H2O4/c1-3-12-19(13-4-2)14-15-20-18-11-7-9-16-8-5-6-10-17(16)18;3-1(4)2(5)6/h3-11H,1-2,12-15H2;(H,3,4)(H,5,6)
InChIKeyJLFVSTMJKDNGKA-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.05
Rot. Bonds8

About N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid

N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid (PubChem CID 2923807) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid.

Molecular Properties

Compound NameN-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid
PubChem CID2923807
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid
SMILESC=CCN(CC=C)CCOc1cccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C18H21NO.C2H2O4/c1-3-12-19(13-4-2)14-15-20-18-11-7-9-16-8-5-6-10-17(16)18;3-1(4)2(5)6/h3-11H,1-2,12-15H2;(H,3,4)(H,5,6)
InChIKeyJLFVSTMJKDNGKA-UHFFFAOYSA-N
XLogP3.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid?
The IUPAC name of N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid (CID 2923807) is N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid.
What is the SMILES notation for N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid?
The canonical SMILES for N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid is C=CCN(CC=C)CCOc1cccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid?
The InChIKey is JLFVSTMJKDNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.C2H2O4/c1-3-12-19(13-4-2)14-15-20-18-11-7-9-16-8-5-6-10-17(16)18;3-1(4)2(5)6/h3-11H,1-2,12-15H2;(H,3,4)(H,5,6).
What are the key properties of N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid?
N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid has a molecular weight of 357.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yloxyethyl)-N-prop-2-enylprop-2-en-1-amine;oxalic acid is sourced from PubChem (CID 2923807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).