N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide

C18H22N2O2 — CID 16793258

IUPACN-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccccc2CN)c1
InChIInChI=1S/C18H22N2O2/c1-12-8-9-13(2)17(10-12)22-14(3)18(21)20-16-7-5-4-6-15(16)11-19/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyIXGGKWBUDFGBEK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.17
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide

N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide (PubChem CID 16793258) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
PubChem CID16793258
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccccc2CN)c1
InChIInChI=1S/C18H22N2O2/c1-12-8-9-13(2)17(10-12)22-14(3)18(21)20-16-7-5-4-6-15(16)11-19/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeyIXGGKWBUDFGBEK-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,5-dimethylphenoxy)-N-(2-phenylphenyl)propanamide
CID 40866622
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
ethyl 3-[2-(2,5-dimethylphenoxy)propanoylamino]-2-methylbenzoate
CID 132653597
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
N-(2-aminophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 16781926
N-(4-anilinophenyl)-2-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 4944912
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide (CID 16793258) is N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2ccccc2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
The InChIKey is IXGGKWBUDFGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-8-9-13(2)17(10-12)22-14(3)18(21)20-16-7-5-4-6-15(16)11-19/h4-10,14H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide?
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 16793258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).