3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide

C19H24N2O3 — CID 18289170

IUPAC3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)14-5-8-16(9-6-14)24-12-11-17(22)21-15-7-10-18(23-4)20-13-15/h5-10,13H,11-12H2,1-4H3,(H,21,22)
InChIKeyXGBHEYZKHYVRQN-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.80
Rot. Bonds6

About 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide

3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 18289170) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID18289170
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)14-5-8-16(9-6-14)24-12-11-17(22)21-15-7-10-18(23-4)20-13-15/h5-10,13H,11-12H2,1-4H3,(H,21,22)
InChIKeyXGBHEYZKHYVRQN-UHFFFAOYSA-N
XLogP3.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-(2-aminoethoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 112738961
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 39898339
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide (CID 18289170) is 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is XGBHEYZKHYVRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)14-5-8-16(9-6-14)24-12-11-17(22)21-15-7-10-18(23-4)20-13-15/h5-10,13H,11-12H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide?
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 18289170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).