N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid

C19H31NO7 — CID 2923881

IUPACN-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid
SMILESCCCCN(C)CCOCCOc1ccccc1OCC.O=C(O)C(=O)O
InChIInChI=1S/C17H29NO3.C2H2O4/c1-4-6-11-18(3)12-13-19-14-15-21-17-10-8-7-9-16(17)20-5-2;3-1(4)2(5)6/h7-10H,4-6,11-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyWJVHEYFQTULYDU-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.37
Rot. Bonds12

About N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid

N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid (PubChem CID 2923881) has the molecular formula C19H31NO7 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid
PubChem CID2923881
Molecular FormulaC19H31NO7
Molecular Weight385.46 g/mol
Exact Mass385.21
IUPAC NameN-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid
SMILESCCCCN(C)CCOCCOc1ccccc1OCC.O=C(O)C(=O)O
InChIInChI=1S/C17H29NO3.C2H2O4/c1-4-6-11-18(3)12-13-19-14-15-21-17-10-8-7-9-16(17)20-5-2;3-1(4)2(5)6/h7-10H,4-6,11-15H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyWJVHEYFQTULYDU-UHFFFAOYSA-N
XLogP2.37
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine;oxalic acid
CID 2922259
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid
CID 2936166
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
4-(2-ethoxyphenoxy)-N-methyl-N-(3-phenylpropyl)butanamide
CID 55710235
1-ethoxy-2-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]benzene
CID 2283298
2-[3-[methyl(pentyl)amino]propoxy]aniline
CID 43294418

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid?
The IUPAC name of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid (CID 2923881) is N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid.
What is the SMILES notation for N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid?
The canonical SMILES for N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid is CCCCN(C)CCOCCOc1ccccc1OCC.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid?
The InChIKey is WJVHEYFQTULYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3.C2H2O4/c1-4-6-11-18(3)12-13-19-14-15-21-17-10-8-7-9-16(17)20-5-2;3-1(4)2(5)6/h7-10H,4-6,11-15H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid?
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid has a molecular weight of 385.46 g/mol, XLogP of 2.37, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-N-methylbutan-1-amine;oxalic acid is sourced from PubChem (CID 2923881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).