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

C26H34N2O4 — CID 59505972

IUPACN-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCC(O)CNCc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2
InChIInChI=1S/C26H34N2O4/c1-18(29)15-27-16-19-4-5-22-14-23(9-6-21(22)13-19)28-26(30)20-7-10-24(11-8-20)32-17-25-3-2-12-31-25/h4-5,7-8,10-11,13,18,23,25,27,29H,2-3,6,9,12,14-17H2,1H3,(H,28,30)/t18?,23-,25-/m0/s1
InChIKeyJFCHWZPFPVNHNU-BOQFIEIISA-N
MW438.57 g/mol
LogP3.00
Rot. Bonds9

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

N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 59505972) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID59505972
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC NameN-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCC(O)CNCc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2
InChIInChI=1S/C26H34N2O4/c1-18(29)15-27-16-19-4-5-22-14-23(9-6-21(22)13-19)28-26(30)20-7-10-24(11-8-20)32-17-25-3-2-12-31-25/h4-5,7-8,10-11,13,18,23,25,27,29H,2-3,6,9,12,14-17H2,1H3,(H,28,30)/t18?,23-,25-/m0/s1
InChIKeyJFCHWZPFPVNHNU-BOQFIEIISA-N
XLogP3.00
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[(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
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25164161
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-[[ethyl(2-methoxyethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505907
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-[(1R)-1-[bis(cyclopentylmethyl)amino]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59506030
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-[[(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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 59505972) is N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CC(O)CNCc1ccc2c(c1)CC[C@H](NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)C2.
What is the InChIKey of N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is JFCHWZPFPVNHNU-BOQFIEIISA-N. The full InChI is InChI=1S/C26H34N2O4/c1-18(29)15-27-16-19-4-5-22-14-23(9-6-21(22)13-19)28-26(30)20-7-10-24(11-8-20)32-17-25-3-2-12-31-25/h4-5,7-8,10-11,13,18,23,25,27,29H,2-3,6,9,12,14-17H2,1H3,(H,28,30)/t18?,23-,25-/m0/s1.
What are the key properties of N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 438.57 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 59505972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).