4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C27H34N2O3 — CID 25164161

IUPAC4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C(N[C@H]1CCc2cc(CN3CCCC3)ccc2C1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C27H34N2O3/c30-27(21-8-11-25(12-9-21)32-19-26-4-3-15-31-26)28-24-10-7-22-16-20(5-6-23(22)17-24)18-29-13-1-2-14-29/h5-6,8-9,11-12,16,24,26H,1-4,7,10,13-15,17-19H2,(H,28,30)/t24-,26-/m0/s1
InChIKeyOPHXGIPUJWBLJI-AHWVRZQESA-N
MW434.58 g/mol
LogP4.13
Rot. Bonds7

About 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 25164161) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID25164161
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESO=C(N[C@H]1CCc2cc(CN3CCCC3)ccc2C1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C27H34N2O3/c30-27(21-8-11-25(12-9-21)32-19-26-4-3-15-31-26)28-24-10-7-22-16-20(5-6-23(22)17-24)18-29-13-1-2-14-29/h5-6,8-9,11-12,16,24,26H,1-4,7,10,13-15,17-19H2,(H,28,30)/t24-,26-/m0/s1
InChIKeyOPHXGIPUJWBLJI-AHWVRZQESA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25190242
N-[(2S)-6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25190355
N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505798
N-[(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(1,3-dioxolan-2-ylmethoxy)benzamide
CID 59505786
N-[(2S)-6-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505832
N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505862
N-[(2S)-6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505992
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-[(2-phenoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 59505861
N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505972
N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505996
N-[(2S)-6-[(1-methoxypropan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 163573767
N-[(2S)-6-[[ethyl(2-methoxyethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505907

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 25164161) is 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is O=C(N[C@H]1CCc2cc(CN3CCCC3)ccc2C1)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is OPHXGIPUJWBLJI-AHWVRZQESA-N. The full InChI is InChI=1S/C27H34N2O3/c30-27(21-8-11-25(12-9-21)32-19-26-4-3-15-31-26)28-24-10-7-22-16-20(5-6-23(22)17-24)18-29-13-1-2-14-29/h5-6,8-9,11-12,16,24,26H,1-4,7,10,13-15,17-19H2,(H,28,30)/t24-,26-/m0/s1.
What are the key properties of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 434.58 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 25164161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).