2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide

C17H20N2O2 — CID 53286403

IUPAC2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H20N2O2/c1-12-8-13(2)10-16(9-12)21-14(3)17(20)19-11-15-4-6-18-7-5-15/h4-10,14H,11H2,1-3H3,(H,19,20)
InChIKeyFPYUZSZQNSXQBD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide

2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 53286403) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID53286403
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H20N2O2/c1-12-8-13(2)10-16(9-12)21-14(3)17(20)19-11-15-4-6-18-7-5-15/h4-10,14H,11H2,1-3H3,(H,19,20)
InChIKeyFPYUZSZQNSXQBD-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
(2R)-2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015246
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7583820
(2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7583822

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide (CID 53286403) is 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide is Cc1cc(C)cc(OC(C)C(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is FPYUZSZQNSXQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-8-13(2)10-16(9-12)21-14(3)17(20)19-11-15-4-6-18-7-5-15/h4-10,14H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide?
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 53286403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).