ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate

C26H30N2O3 — CID 141013948

IUPACethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
SMILESCCOC(=O)C(CCc1ccc(OCCc2cccc(NC)n2)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O3/c1-3-30-26(29)24(21-8-5-4-6-9-21)17-14-20-12-15-23(16-13-20)31-19-18-22-10-7-11-25(27-2)28-22/h4-13,15-16,24H,3,14,17-19H2,1-2H3,(H,27,28)
InChIKeyRVRNOCSIUQNACZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.02
Rot. Bonds11

About ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate

ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate (PubChem CID 141013948) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
PubChem CID141013948
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Nameethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate
SMILESCCOC(=O)C(CCc1ccc(OCCc2cccc(NC)n2)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O3/c1-3-30-26(29)24(21-8-5-4-6-9-21)17-14-20-12-15-23(16-13-20)31-19-18-22-10-7-11-25(27-2)28-22/h4-13,15-16,24H,3,14,17-19H2,1-2H3,(H,27,28)
InChIKeyRVRNOCSIUQNACZ-UHFFFAOYSA-N
XLogP5.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate 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

(2S)-2-[(2-hydroxy-2-phenylacetyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184627
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
3-(2-ethylphenyl)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]butanoic acid
CID 70115234
(2S)-2-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25184417
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
CID 68901306
2-[benzyl-[[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]methyl]amino]acetic acid;ethyl 2-[benzyl-[[4-[2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridinyl]ethoxy]phenyl]methyl]amino]acetate
CID 87952611
(2S)-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 25025933
(3R)-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-3-(1,3-thiazol-2-yl)butanoic acid
CID 54368391
N-methyl-6-[2-[4-(2-methylbut-1-enyl)phenoxy]ethyl]pyridin-2-amine
CID 141013947
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-2-yl]hexanoic acid
CID 90903976
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
CID 54281184
(2S)-2-[(3-chloropyridine-2-carbonyl)amino]-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 25026134

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate?
The IUPAC name of ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate (CID 141013948) is ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate.
What is the SMILES notation for ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate?
The canonical SMILES for ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate is CCOC(=O)C(CCc1ccc(OCCc2cccc(NC)n2)cc1)c1ccccc1.
What is the InChIKey of ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate?
The InChIKey is RVRNOCSIUQNACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-30-26(29)24(21-8-5-4-6-9-21)17-14-20-12-15-23(16-13-20)31-19-18-22-10-7-11-25(27-2)28-22/h4-13,15-16,24H,3,14,17-19H2,1-2H3,(H,27,28).
What are the key properties of ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate?
ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate has a molecular weight of 418.54 g/mol, XLogP of 5.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]-2-phenylbutanoate is sourced from PubChem (CID 141013948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).