N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide

C21H26N2O3 — CID 55657686

IUPACN-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-19(24)23-18-11-9-17(10-12-18)16(4)22-20(25)13-26-21-14(2)7-6-8-15(21)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYBFUMKYJLZVRTB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.91
Rot. Bonds7

About N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide

N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide (PubChem CID 55657686) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
PubChem CID55657686
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-19(24)23-18-11-9-17(10-12-18)16(4)22-20(25)13-26-21-14(2)7-6-8-15(21)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyYBFUMKYJLZVRTB-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528054
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
2-(2,6-dimethylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716567
2-(2,3-dimethylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 132650068
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide (CID 55657686) is N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(C)NC(=O)COc2c(C)cccc2C)cc1.
What is the InChIKey of N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
The InChIKey is YBFUMKYJLZVRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-19(24)23-18-11-9-17(10-12-18)16(4)22-20(25)13-26-21-14(2)7-6-8-15(21)3/h6-12,16H,5,13H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide?
N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide is sourced from PubChem (CID 55657686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).