2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C22H26F2N2O3 — CID 2541033

IUPAC2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cc(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C22H26F2N2O3/c1-26(13-15-10-11-19(29-22(23)24)20(12-15)28-2)14-21(27)25-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,10-12,18,22H,5,7,9,13-14H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyHZYVDVHRAUIORB-SFHVURJKSA-N
MW404.46 g/mol
LogP3.92
Rot. Bonds8

About 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 2541033) has the molecular formula C22H26F2N2O3 and a molecular weight of 404.46 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID2541033
Molecular FormulaC22H26F2N2O3
Molecular Weight404.46 g/mol
Exact Mass404.19
IUPAC Name2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cc(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C22H26F2N2O3/c1-26(13-15-10-11-19(29-22(23)24)20(12-15)28-2)14-21(27)25-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,10-12,18,22H,5,7,9,13-14H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyHZYVDVHRAUIORB-SFHVURJKSA-N
XLogP3.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8551194
(1R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 39973149
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
3-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4826101
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 2541033) is 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1cc(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is HZYVDVHRAUIORB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26F2N2O3/c1-26(13-15-10-11-19(29-22(23)24)20(12-15)28-2)14-21(27)25-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,10-12,18,22H,5,7,9,13-14H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 2541033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).