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

C19H22N2O3 — CID 134696817

IUPAC3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C
InChIInChI=1S/C19H22N2O3/c1-13-16(4-3-5-18(13)23-2)19(22)21-17-12-24-11-15(17)10-14-6-8-20-9-7-14/h3-9,15,17H,10-12H2,1-2H3,(H,21,22)/t15-,17-/m1/s1
InChIKeyQSKSMRHIMHCUKR-NVXWUHKLSA-N
MW326.40 g/mol
LogP2.39
Rot. Bonds5

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

3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134696817) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134696817
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCOc1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C
InChIInChI=1S/C19H22N2O3/c1-13-16(4-3-5-18(13)23-2)19(22)21-17-12-24-11-15(17)10-14-6-8-20-9-7-14/h3-9,15,17H,10-12H2,1-2H3,(H,21,22)/t15-,17-/m1/s1
InChIKeyQSKSMRHIMHCUKR-NVXWUHKLSA-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

2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
2,4-difluoro-3-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134710117
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
1,3,7-trimethyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]indole-2-carboxamide
CID 135098674
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 135092758

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134696817) is 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is COc1cccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)c1C.
What is the InChIKey of 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is QSKSMRHIMHCUKR-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-16(4-3-5-18(13)23-2)19(22)21-17-12-24-11-15(17)10-14-6-8-20-9-7-14/h3-9,15,17H,10-12H2,1-2H3,(H,21,22)/t15-,17-/m1/s1.
What are the key properties of 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
3-methoxy-2-methyl-N-[(3S,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 3-methoxy-2-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134696817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).