2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C19H22N2O3 — CID 134711078

IUPAC2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1ccc(C)cc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C19H22N2O3/c1-13-3-4-18(23-2)16(9-13)19(22)21-17-12-24-11-15(17)10-14-5-7-20-8-6-14/h3-9,15,17H,10-12H2,1-2H3,(H,21,22)/t15-,17+/m1/s1
InChIKeyWWUDHHRHSKXPHP-WBVHZDCISA-N
MW326.40 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134711078) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134711078
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1ccc(C)cc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C19H22N2O3/c1-13-3-4-18(23-2)16(9-13)19(22)21-17-12-24-11-15(17)10-14-5-7-20-8-6-14/h3-9,15,17H,10-12H2,1-2H3,(H,21,22)/t15-,17+/m1/s1
InChIKeyWWUDHHRHSKXPHP-WBVHZDCISA-N
XLogP2.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696817
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134710117
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
2-(3-methylphenoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699611
4-chloro-1-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
CID 135111451

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134711078) is 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is COc1ccc(C)cc1C(=O)N[C@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is WWUDHHRHSKXPHP-WBVHZDCISA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-3-4-18(23-2)16(9-13)19(22)21-17-12-24-11-15(17)10-14-5-7-20-8-6-14/h3-9,15,17H,10-12H2,1-2H3,(H,21,22)/t15-,17+/m1/s1.
What are the key properties of 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134711078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).