N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

C20H24N2O — CID 54535301

IUPACN-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CC(N(C)Cc1ccccc1)CC2
InChIInChI=1S/C20H24N2O/c1-15(23)21-20-10-6-9-17-11-12-18(13-19(17)20)22(2)14-16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,21,23)
InChIKeyYZISTYWWDAQVNL-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.63
Rot. Bonds4

About N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 54535301) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
PubChem CID54535301
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CC(N(C)Cc1ccccc1)CC2
InChIInChI=1S/C20H24N2O/c1-15(23)21-20-10-6-9-17-11-12-18(13-19(17)20)22(2)14-16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,21,23)
InChIKeyYZISTYWWDAQVNL-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7S)-7-(dibenzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-2-hydroxy-2-methylpropanamide
CID 22082777
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19696146
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265
N-[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836484
N-[6-(diethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836522
N-[6-(2-phenylethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773336
N-(7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696246
[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 68749271
(2R)-N,N-dibenzyl-8-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082960
N-[6-(7-phenylheptylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 19773285
N-[6-[butyl(propyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 14836520
N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54040083

Frequently Asked Questions

What is the IUPAC name of N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (CID 54535301) is N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c1CC(N(C)Cc1ccccc1)CC2.
What is the InChIKey of N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is YZISTYWWDAQVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15(23)21-20-10-6-9-17-11-12-18(13-19(17)20)22(2)14-16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[benzyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 54535301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).