4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid

C19H28N2O6 — CID 20986226

IUPAC4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid
SMILESCCOc1cc(CNC(=O)CCC(=O)O)ccc1OCCN1CCOCC1
InChIInChI=1S/C19H28N2O6/c1-2-26-17-13-15(14-20-18(22)5-6-19(23)24)3-4-16(17)27-12-9-21-7-10-25-11-8-21/h3-4,13H,2,5-12,14H2,1H3,(H,20,22)(H,23,24)
InChIKeyUWIXPLACCSAGLD-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.28
Rot. Bonds11

About 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid

4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid (PubChem CID 20986226) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid
PubChem CID20986226
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid
SMILESCCOc1cc(CNC(=O)CCC(=O)O)ccc1OCCN1CCOCC1
InChIInChI=1S/C19H28N2O6/c1-2-26-17-13-15(14-20-18(22)5-6-19(23)24)3-4-16(17)27-12-9-21-7-10-25-11-8-21/h3-4,13H,2,5-12,14H2,1H3,(H,20,22)(H,23,24)
InChIKeyUWIXPLACCSAGLD-UHFFFAOYSA-N
XLogP1.28
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 9151456
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
3-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 170867775
4-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20991295
4-[[4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20988279
4-[2-(3-ethoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151980
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415

Frequently Asked Questions

What is the IUPAC name of 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid (CID 20986226) is 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid is CCOc1cc(CNC(=O)CCC(=O)O)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid?
The InChIKey is UWIXPLACCSAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6/c1-2-26-17-13-15(14-20-18(22)5-6-19(23)24)3-4-16(17)27-12-9-21-7-10-25-11-8-21/h3-4,13H,2,5-12,14H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid?
4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid has a molecular weight of 380.44 g/mol, XLogP of 1.28, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 20986226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).