2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide

C20H24N2O4 — CID 164634817

IUPAC2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-17-7-5-15(6-8-17)12-20(23)22-18-14-25-11-9-19(18)26-13-16-4-2-3-10-21-16/h2-8,10,18-19H,9,11-14H2,1H3,(H,22,23)/t18-,19-/m0/s1
InChIKeyQMJQYBFNHMBLHL-OALUTQOASA-N
MW356.42 g/mol
LogP2.12
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide

2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide (PubChem CID 164634817) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
PubChem CID164634817
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
SMILESCOc1ccc(CC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cc1
InChIInChI=1S/C20H24N2O4/c1-24-17-7-5-15(6-8-17)12-20(23)22-18-14-25-11-9-19(18)26-13-16-4-2-3-10-21-16/h2-8,10,18-19H,9,11-14H2,1H3,(H,22,23)/t18-,19-/m0/s1
InChIKeyQMJQYBFNHMBLHL-OALUTQOASA-N
XLogP2.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide (CID 164634817) is 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide is COc1ccc(CC(=O)N[C@H]2COCC[C@@H]2OCc2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide?
The InChIKey is QMJQYBFNHMBLHL-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-17-7-5-15(6-8-17)12-20(23)22-18-14-25-11-9-19(18)26-13-16-4-2-3-10-21-16/h2-8,10,18-19H,9,11-14H2,1H3,(H,22,23)/t18-,19-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 164634817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).