N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid

C19H29N3O10 — CID 2843268

IUPACN-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid
SMILESCCc1nc(C)ccc1OCC(=O)NCCCN(C)C.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C15H25N3O2.2C2H2O4/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4;2*3-1(4)2(5)6/h7-8H,5-6,9-11H2,1-4H3,(H,16,19);2*(H,3,4)(H,5,6)
InChIKeyUCHRGOJTPXVNQZ-UHFFFAOYSA-N
MW459.45 g/mol
LogP-0.29
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid

N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid (PubChem CID 2843268) has the molecular formula C19H29N3O10 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid
PubChem CID2843268
Molecular FormulaC19H29N3O10
Molecular Weight459.45 g/mol
Exact Mass459.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid
SMILESCCc1nc(C)ccc1OCC(=O)NCCCN(C)C.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C15H25N3O2.2C2H2O4/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4;2*3-1(4)2(5)6/h7-8H,5-6,9-11H2,1-4H3,(H,16,19);2*(H,3,4)(H,5,6)
InChIKeyUCHRGOJTPXVNQZ-UHFFFAOYSA-N
XLogP-0.29
TPSA203.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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 N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid (CID 2843268) is N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid is CCc1nc(C)ccc1OCC(=O)NCCCN(C)C.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
The InChIKey is UCHRGOJTPXVNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.2C2H2O4/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4;2*3-1(4)2(5)6/h7-8H,5-6,9-11H2,1-4H3,(H,16,19);2*(H,3,4)(H,5,6).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid has a molecular weight of 459.45 g/mol, XLogP of -0.29, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid is sourced from PubChem (CID 2843268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).