4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid

C21H25NO5 — CID 9151456

IUPAC4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
SMILESCCOc1cc(CNC(=O)CCC(=O)O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C21H25NO5/c1-3-26-19-12-17(13-22-20(23)10-11-21(24)25)8-9-18(19)27-14-16-6-4-15(2)5-7-16/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyYSAFTQYPYJGEBM-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.45
Rot. Bonds10

About 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid

4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid (PubChem CID 9151456) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
PubChem CID9151456
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
SMILESCCOc1cc(CNC(=O)CCC(=O)O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C21H25NO5/c1-3-26-19-12-17(13-22-20(23)10-11-21(24)25)8-9-18(19)27-14-16-6-4-15(2)5-7-16/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyYSAFTQYPYJGEBM-UHFFFAOYSA-N
XLogP3.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic 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

4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoate
CID 9151455
4-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20991295
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987225
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20986226
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 86950662
4-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 22686463
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986

Frequently Asked Questions

What is the IUPAC name of 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid (CID 9151456) is 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid is CCOc1cc(CNC(=O)CCC(=O)O)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid?
The InChIKey is YSAFTQYPYJGEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-26-19-12-17(13-22-20(23)10-11-21(24)25)8-9-18(19)27-14-16-6-4-15(2)5-7-16/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid?
4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid has a molecular weight of 371.43 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 9151456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).