3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide

C18H24N4O3 — CID 154786784

IUPAC3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(C)C[C@H]1OCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C18H24N4O3/c1-22(11-16-14(9-10-25-16)18-19-12-20-21-18)17(23)8-7-13-5-3-4-6-15(13)24-2/h3-6,12,14,16H,7-11H2,1-2H3,(H,19,20,21)/t14-,16-/m1/s1
InChIKeyQDFNWAYAUCQIOJ-GDBMZVCRSA-N
MW344.42 g/mol
LogP1.78
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide

3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide (PubChem CID 154786784) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide
PubChem CID154786784
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide
SMILESCOc1ccccc1CCC(=O)N(C)C[C@H]1OCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C18H24N4O3/c1-22(11-16-14(9-10-25-16)18-19-12-20-21-18)17(23)8-7-13-5-3-4-6-15(13)24-2/h3-6,12,14,16H,7-11H2,1-2H3,(H,19,20,21)/t14-,16-/m1/s1
InChIKeyQDFNWAYAUCQIOJ-GDBMZVCRSA-N
XLogP1.78
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide (CID 154786784) is 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide is COc1ccccc1CCC(=O)N(C)C[C@H]1OCC[C@H]1c1ncn[nH]1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide?
The InChIKey is QDFNWAYAUCQIOJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-22(11-16-14(9-10-25-16)18-19-12-20-21-18)17(23)8-7-13-5-3-4-6-15(13)24-2/h3-6,12,14,16H,7-11H2,1-2H3,(H,19,20,21)/t14-,16-/m1/s1.
What are the key properties of 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide?
3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide has a molecular weight of 344.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-methyl-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 154786784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).