3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide

C19H23N3O3 — CID 56747604

IUPAC3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC(=O)NC(C)CC(=O)NCc1cccnc1Oc1ccccc1C
InChIInChI=1S/C19H23N3O3/c1-13-7-4-5-9-17(13)25-19-16(8-6-10-20-19)12-21-18(24)11-14(2)22-15(3)23/h4-10,14H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNAWMQFICHGFRTI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.71
Rot. Bonds7

About 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide

3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide (PubChem CID 56747604) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide
PubChem CID56747604
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide
SMILESCC(=O)NC(C)CC(=O)NCc1cccnc1Oc1ccccc1C
InChIInChI=1S/C19H23N3O3/c1-13-7-4-5-9-17(13)25-19-16(8-6-10-20-19)12-21-18(24)11-14(2)22-15(3)23/h4-10,14H,11-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNAWMQFICHGFRTI-UHFFFAOYSA-N
XLogP2.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide (CID 56747604) is 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide is CC(=O)NC(C)CC(=O)NCc1cccnc1Oc1ccccc1C.
What is the InChIKey of 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide?
The InChIKey is NAWMQFICHGFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-7-4-5-9-17(13)25-19-16(8-6-10-20-19)12-21-18(24)11-14(2)22-15(3)23/h4-10,14H,11-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide?
3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide has a molecular weight of 341.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 56747604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).