4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

C27H34N2O2 — CID 46869275

IUPAC4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESC[C@H]1CC[C@H](c2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(OCC4CC4)cc2)C3)N1
InChIInChI=1S/C27H34N2O2/c1-18-3-14-26(28-18)23-7-6-22-16-24(11-8-21(22)15-23)29(2)27(30)20-9-12-25(13-10-20)31-17-19-4-5-19/h6-7,9-10,12-13,15,18-19,24,26,28H,3-5,8,11,14,16-17H2,1-2H3/t18-,24-,26+/m0/s1
InChIKeyQXYLMFTWYKTNIN-ZNCVFPSASA-N
MW418.58 g/mol
LogP4.92
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide

4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (PubChem CID 46869275) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
PubChem CID46869275
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
SMILESC[C@H]1CC[C@H](c2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(OCC4CC4)cc2)C3)N1
InChIInChI=1S/C27H34N2O2/c1-18-3-14-26(28-18)23-7-6-22-16-24(11-8-21(22)15-23)29(2)27(30)20-9-12-25(13-10-20)31-17-19-4-5-19/h6-7,9-10,12-13,15,18-19,24,26,28H,3-5,8,11,14,16-17H2,1-2H3/t18-,24-,26+/m0/s1
InChIKeyQXYLMFTWYKTNIN-ZNCVFPSASA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-[(2S)-6-(diethylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylbenzamide
CID 46869341
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-[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-[(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-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide (CID 46869275) is 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is C[C@H]1CC[C@H](c2ccc3c(c2)CC[C@H](N(C)C(=O)c2ccc(OCC4CC4)cc2)C3)N1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
The InChIKey is QXYLMFTWYKTNIN-ZNCVFPSASA-N. The full InChI is InChI=1S/C27H34N2O2/c1-18-3-14-26(28-18)23-7-6-22-16-24(11-8-21(22)15-23)29(2)27(30)20-9-12-25(13-10-20)31-17-19-4-5-19/h6-7,9-10,12-13,15,18-19,24,26,28H,3-5,8,11,14,16-17H2,1-2H3/t18-,24-,26+/m0/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide?
4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide has a molecular weight of 418.58 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-methyl-N-[(2S)-6-[(2R,5S)-5-methylpyrrolidin-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide is sourced from PubChem (CID 46869275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).