2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H30N2O3 — CID 8551194

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC
InChIInChI=1S/C23H30N2O3/c1-16-12-21(27-3)22(28-4)13-18(16)14-25(2)15-23(26)24-20-11-7-9-17-8-5-6-10-19(17)20/h5-6,8,10,12-13,20H,7,9,11,14-15H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKeyREFPLDQLZZPEPW-FQEVSTJZSA-N
MW382.50 g/mol
LogP3.64
Rot. Bonds7

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 8551194) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID8551194
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCOc1cc(C)c(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC
InChIInChI=1S/C23H30N2O3/c1-16-12-21(27-3)22(28-4)13-18(16)14-25(2)15-23(26)24-20-11-7-9-17-8-5-6-10-19(17)20/h5-6,8,10,12-13,20H,7,9,11,14-15H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKeyREFPLDQLZZPEPW-FQEVSTJZSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.64
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-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2541033
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28546713
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55543140
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
2-(2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30243488
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9103538
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895927

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 8551194) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is COc1cc(C)c(CN(C)CC(=O)N[C@H]2CCCc3ccccc32)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is REFPLDQLZZPEPW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16-12-21(27-3)22(28-4)13-18(16)14-25(2)15-23(26)24-20-11-7-9-17-8-5-6-10-19(17)20/h5-6,8,10,12-13,20H,7,9,11,14-15H2,1-4H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 8551194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).