4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide

C27H36N2O2 — CID 46869341

IUPAC4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
SMILESCCN(CC)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2
InChIInChI=1S/C27H36N2O2/c1-4-29(5-2)18-21-8-9-24-17-25(13-10-23(24)16-21)28(3)27(30)22-11-14-26(15-12-22)31-19-20-6-7-20/h8-9,11-12,14-16,20,25H,4-7,10,13,17-19H2,1-3H3/t25-/m0/s1
InChIKeyIEFUTBYAQZLQAB-VWLOTQADSA-N
MW420.60 g/mol
LogP4.95
Rot. Bonds9

About 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide

4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide (PubChem CID 46869341) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
PubChem CID46869341
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
SMILESCCN(CC)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2
InChIInChI=1S/C27H36N2O2/c1-4-29(5-2)18-21-8-9-24-17-25(13-10-23(24)16-21)28(3)27(30)22-11-14-26(15-12-22)31-19-20-6-7-20/h8-9,11-12,14-16,20,25H,4-7,10,13,17-19H2,1-3H3/t25-/m0/s1
InChIKeyIEFUTBYAQZLQAB-VWLOTQADSA-N
XLogP4.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
4-(cyclopropylmethoxy)-N-[(2S)-6-[(2-ethoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 58054894
4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680744
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-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 46869275
N-[(2R)-5-[(cyclopentylmethylamino)methyl]-2,3-dihydro-1H-inden-2-yl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 58062327
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062389
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
N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide
CID 76680712
4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-[[(4-methyloxan-4-yl)methylamino]methyl]-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062332

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide (CID 46869341) is 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide is CCN(CC)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The InChIKey is IEFUTBYAQZLQAB-VWLOTQADSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-4-29(5-2)18-21-8-9-24-17-25(13-10-23(24)16-21)28(3)27(30)22-11-14-26(15-12-22)31-19-20-6-7-20/h8-9,11-12,14-16,20,25H,4-7,10,13,17-19H2,1-3H3/t25-/m0/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide has a molecular weight of 420.60 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide is sourced from PubChem (CID 46869341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).