4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C28H36N2O3 — CID 76680744

IUPAC4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)C1CCc2cc(CNCC3CCCO3)ccc2C1
InChIInChI=1S/C28H36N2O3/c1-30(28(31)22-9-12-26(13-10-22)33-19-20-4-5-20)25-11-8-23-15-21(6-7-24(23)16-25)17-29-18-27-3-2-14-32-27/h6-7,9-10,12-13,15,20,25,27,29H,2-5,8,11,14,16-19H2,1H3
InChIKeyWSBUMCYQGIJPBX-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.37
Rot. Bonds9

About 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 76680744) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID76680744
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC Name4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)C1CCc2cc(CNCC3CCCO3)ccc2C1
InChIInChI=1S/C28H36N2O3/c1-30(28(31)22-9-12-26(13-10-22)33-19-20-4-5-20)25-11-8-23-15-21(6-7-24(23)16-25)17-29-18-27-3-2-14-32-27/h6-7,9-10,12-13,15,20,25,27,29H,2-5,8,11,14,16-19H2,1H3
InChIKeyWSBUMCYQGIJPBX-UHFFFAOYSA-N
XLogP4.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide with MolForge

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Related Compounds

N-[(2R)-5-[(cyclopentylmethylamino)methyl]-2,3-dihydro-1H-inden-2-yl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 58062327
4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054866
4-(cyclopropylmethoxy)-N-[(2S)-6-[(2-ethoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 58054894
N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide
CID 76680712
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 46869341
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062332
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062340
4-(cyclopropylmethoxy)-N-methyl-N-[5-[[(1-methylcyclopropyl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
CID 76682576
4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 76680770
N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 76682532
4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 46869275

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 76680744) is 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is CN(C(=O)c1ccc(OCC2CC2)cc1)C1CCc2cc(CNCC3CCCO3)ccc2C1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is WSBUMCYQGIJPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3/c1-30(28(31)22-9-12-26(13-10-22)33-19-20-4-5-20)25-11-8-23-15-21(6-7-24(23)16-25)17-29-18-27-3-2-14-32-27/h6-7,9-10,12-13,15,20,25,27,29H,2-5,8,11,14,16-19H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 448.61 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 76680744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).