2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide

C15H22N2O3 — CID 91787096

IUPAC2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
SMILESCc1ccc(O[C@H]2COCC[C@H]2NC(=O)C(C)C)cn1
InChIInChI=1S/C15H22N2O3/c1-10(2)15(18)17-13-6-7-19-9-14(13)20-12-5-4-11(3)16-8-12/h4-5,8,10,13-14H,6-7,9H2,1-3H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyAZHYWXZYDDTSSM-KGLIPLIRSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds4

About 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide

2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide (PubChem CID 91787096) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
PubChem CID91787096
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide
SMILESCc1ccc(O[C@H]2COCC[C@H]2NC(=O)C(C)C)cn1
InChIInChI=1S/C15H22N2O3/c1-10(2)15(18)17-13-6-7-19-9-14(13)20-12-5-4-11(3)16-8-12/h4-5,8,10,13-14H,6-7,9H2,1-3H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyAZHYWXZYDDTSSM-KGLIPLIRSA-N
XLogP1.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide (CID 91787096) is 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide is Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)C(C)C)cn1.
What is the InChIKey of 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide?
The InChIKey is AZHYWXZYDDTSSM-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)15(18)17-13-6-7-19-9-14(13)20-12-5-4-11(3)16-8-12/h4-5,8,10,13-14H,6-7,9H2,1-3H3,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide?
2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]propanamide is sourced from PubChem (CID 91787096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).