N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid

C19H24N2O6 — CID 23724238

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
SMILESCCN(Cc1ccncc1)Cc1ccc(OC)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-4-19(12-14-7-9-18-10-8-14)13-15-5-6-16(20-2)11-17(15)21-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPLPJFSZGPVZRDP-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.28
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid

N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid (PubChem CID 23724238) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
PubChem CID23724238
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
SMILESCCN(Cc1ccncc1)Cc1ccc(OC)cc1OC.O=C(O)C(=O)O
InChIInChI=1S/C17H22N2O2.C2H2O4/c1-4-19(12-14-7-9-18-10-8-14)13-15-5-6-16(20-2)11-17(15)21-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyPLPJFSZGPVZRDP-UHFFFAOYSA-N
XLogP2.28
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid (CID 23724238) is N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid is CCN(Cc1ccncc1)Cc1ccc(OC)cc1OC.O=C(O)C(=O)O.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
The InChIKey is PLPJFSZGPVZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C2H2O4/c1-4-19(12-14-7-9-18-10-8-14)13-15-5-6-16(20-2)11-17(15)21-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid?
N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid has a molecular weight of 376.41 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid is sourced from PubChem (CID 23724238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).