N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C22H27NO3 — CID 91277668

IUPACN-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc2c(c1OC)CCC(N(Cc1ccccc1)C(C)=O)C2C
InChIInChI=1S/C22H27NO3/c1-15-18-11-13-21(25-3)22(26-4)19(18)10-12-20(15)23(16(2)24)14-17-8-6-5-7-9-17/h5-9,11,13,15,20H,10,12,14H2,1-4H3
InChIKeyTYZOPSLYGPLQFJ-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.17
Rot. Bonds5

About N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 91277668) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID91277668
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1ccc2c(c1OC)CCC(N(Cc1ccccc1)C(C)=O)C2C
InChIInChI=1S/C22H27NO3/c1-15-18-11-13-21(25-3)22(26-4)19(18)10-12-20(15)23(16(2)24)14-17-8-6-5-7-9-17/h5-9,11,13,15,20H,10,12,14H2,1-4H3
InChIKeyTYZOPSLYGPLQFJ-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
methyl (1R)-5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 124559713
methyl 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 11311593
N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11727972
(4aS)-4-benzyl-7,8-dimethoxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinoline
CID 163741651
3-benzyl-6,7-dimethoxy-2-methyl-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindole;hydrochloride
CID 19793338
4,5-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid;3-phenylpiperidin-4-amine
CID 69335608
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18652062

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 91277668) is N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is COc1ccc2c(c1OC)CCC(N(Cc1ccccc1)C(C)=O)C2C.
What is the InChIKey of N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is TYZOPSLYGPLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-15-18-11-13-21(25-3)22(26-4)19(18)10-12-20(15)23(16(2)24)14-17-8-6-5-7-9-17/h5-9,11,13,15,20H,10,12,14H2,1-4H3.
What are the key properties of N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 353.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 91277668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).