2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide

C23H25N3O2 — CID 91060090

IUPAC2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
SMILESCC(C)(N)C(=O)Nc1ccc(OCCc2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,24)22(27)26-20-7-9-21(10-8-20)28-16-13-17-3-5-18(6-4-17)19-11-14-25-15-12-19/h3-12,14-15H,13,16,24H2,1-2H3,(H,26,27)
InChIKeyVGPDJUWKNJEKIK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.05
Rot. Bonds7

About 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide

2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide (PubChem CID 91060090) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
PubChem CID91060090
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide
SMILESCC(C)(N)C(=O)Nc1ccc(OCCc2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,24)22(27)26-20-7-9-21(10-8-20)28-16-13-17-3-5-18(6-4-17)19-11-14-25-15-12-19/h3-12,14-15H,13,16,24H2,1-2H3,(H,26,27)
InChIKeyVGPDJUWKNJEKIK-UHFFFAOYSA-N
XLogP4.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 69266314
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
[(2S)-2-amino-2-methyl-3-oxo-3-[4-[2-(4-phenylphenyl)ethoxy]anilino]propyl] dihydrogen phosphate
CID 11540052
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethoxy]phenyl]propanamide
CID 11518212
N-[4-[2-(4-methylphenyl)ethoxy]phenyl]acetamide
CID 13017655
[4-(3-pyridin-4-ylpropoxy)phenyl]urea
CID 143052287
tert-butyl N-[(2S)-1-[4-[2-[4-(4-ethylphenyl)phenyl]ethoxy]anilino]-3-hydroxy-2-methyl-1-oxopropan-2-yl]carbamate
CID 91256976
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
(2S)-2-amino-N-[4-[2-(3,4-dimethoxyphenyl)ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 11610457
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide (CID 91060090) is 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide is CC(C)(N)C(=O)Nc1ccc(OCCc2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide?
The InChIKey is VGPDJUWKNJEKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,24)22(27)26-20-7-9-21(10-8-20)28-16-13-17-3-5-18(6-4-17)19-11-14-25-15-12-19/h3-12,14-15H,13,16,24H2,1-2H3,(H,26,27).
What are the key properties of 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide?
2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-[2-(4-pyridin-4-ylphenyl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 91060090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).