N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C22H27NO2 — CID 100681308

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)cc1
InChIInChI=1S/C22H27NO2/c1-3-20(18-13-11-16(2)12-14-18)23-22(24)15-25-21-10-6-8-17-7-4-5-9-19(17)21/h6,8,10-14,20H,3-5,7,9,15H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyBSQZELQCIGBLKH-HXUWFJFHSA-N
MW337.46 g/mol
LogP4.52
Rot. Bonds6

About N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100681308) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100681308
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)cc1
InChIInChI=1S/C22H27NO2/c1-3-20(18-13-11-16(2)12-14-18)23-22(24)15-25-21-10-6-8-17-7-4-5-9-19(17)21/h6,8,10-14,20H,3-5,7,9,15H2,1-2H3,(H,23,24)/t20-/m1/s1
InChIKeyBSQZELQCIGBLKH-HXUWFJFHSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133199402
N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133202296
N-[1-(4-methylphenyl)propyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 17328368
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133220383
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715119
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
2-(4-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94843764
2-(4-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9296856
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100681308) is N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is BSQZELQCIGBLKH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-20(18-13-11-16(2)12-14-18)23-22(24)15-25-21-10-6-8-17-7-4-5-9-19(17)21/h6,8,10-14,20H,3-5,7,9,15H2,1-2H3,(H,23,24)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 337.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100681308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).