3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

C21H26N2O4 — CID 134705516

IUPAC3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1OCC
InChIInChI=1S/C21H26N2O4/c1-3-26-19-6-5-16(12-20(19)27-4-2)21(24)23-18-14-25-13-17(18)11-15-7-9-22-10-8-15/h5-10,12,17-18H,3-4,11,13-14H2,1-2H3,(H,23,24)/t17-,18-/m1/s1
InChIKeyFPIAOUJNUAVIDU-QZTJIDSGSA-N
MW370.45 g/mol
LogP2.87
Rot. Bonds8

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

3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (PubChem CID 134705516) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
PubChem CID134705516
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1OCC
InChIInChI=1S/C21H26N2O4/c1-3-26-19-6-5-16(12-20(19)27-4-2)21(24)23-18-14-25-13-17(18)11-15-7-9-22-10-8-15/h5-10,12,17-18H,3-4,11,13-14H2,1-2H3,(H,23,24)/t17-,18-/m1/s1
InChIKeyFPIAOUJNUAVIDU-QZTJIDSGSA-N
XLogP2.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
2-(2-methoxyphenoxy)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135094569
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096323
3-ethoxy-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-prop-2-enoxybenzamide
CID 46982922
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide (CID 134705516) is 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is CCOc1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
The InChIKey is FPIAOUJNUAVIDU-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-26-19-6-5-16(12-20(19)27-4-2)21(24)23-18-14-25-13-17(18)11-15-7-9-22-10-8-15/h5-10,12,17-18H,3-4,11,13-14H2,1-2H3,(H,23,24)/t17-,18-/m1/s1.
What are the key properties of 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide?
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide is sourced from PubChem (CID 134705516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).