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

C27H34N2O2 — CID 76680730

IUPAC4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)C1CCc2cc(CN3CCCC3)ccc2C1
InChIInChI=1S/C27H34N2O2/c1-28(27(30)22-9-12-26(13-10-22)31-19-20-4-5-20)25-11-8-23-16-21(6-7-24(23)17-25)18-29-14-2-3-15-29/h6-7,9-10,12-13,16,20,25H,2-5,8,11,14-15,17-19H2,1H3
InChIKeyNBWMWQUCGYUCEI-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.70
Rot. Bonds7

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

4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 76680730) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID76680730
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESCN(C(=O)c1ccc(OCC2CC2)cc1)C1CCc2cc(CN3CCCC3)ccc2C1
InChIInChI=1S/C27H34N2O2/c1-28(27(30)22-9-12-26(13-10-22)31-19-20-4-5-20)25-11-8-23-16-21(6-7-24(23)17-25)18-29-14-2-3-15-29/h6-7,9-10,12-13,16,20,25H,2-5,8,11,14-15,17-19H2,1H3
InChIKeyNBWMWQUCGYUCEI-UHFFFAOYSA-N
XLogP4.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062389
4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 46869341
4-(4-fluorophenyl)-N-methyl-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054855
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-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680744
4-(cyclopropylmethoxy)-N-[(2S)-6-[(2-ethoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 58054894
4-(cyclopropylmethoxy)-N-[6-[[ethyl(oxan-4-ylmethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 76680770
4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[[(2-methyloxolan-2-yl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054866
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-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 46869275
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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 76680730) is 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is CN(C(=O)c1ccc(OCC2CC2)cc1)C1CCc2cc(CN3CCCC3)ccc2C1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is NBWMWQUCGYUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-28(27(30)22-9-12-26(13-10-22)31-19-20-4-5-20)25-11-8-23-16-21(6-7-24(23)17-25)18-29-14-2-3-15-29/h6-7,9-10,12-13,16,20,25H,2-5,8,11,14-15,17-19H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 418.58 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 76680730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).