N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C22H27NO2 — CID 133187740

IUPACN-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccc(C(C)NC(=O)C(C)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H27NO2/c1-15-8-10-18(11-9-15)16(2)23-22(24)17(3)25-21-13-12-19-6-4-5-7-20(19)14-21/h8-14,16-17H,4-7H2,1-3H3,(H,23,24)
InChIKeyXNEHKTJCWJOXMD-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 133187740) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID133187740
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCc1ccc(C(C)NC(=O)C(C)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H27NO2/c1-15-8-10-18(11-9-15)16(2)23-22(24)17(3)25-21-13-12-19-6-4-5-7-20(19)14-21/h8-14,16-17H,4-7H2,1-3H3,(H,23,24)
InChIKeyXNEHKTJCWJOXMD-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(4-piperidin-1-ylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210391
2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190649
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133188915
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190650
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162988
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100753046
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100604886

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 133187740) is N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is Cc1ccc(C(C)NC(=O)C(C)Oc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is XNEHKTJCWJOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-8-10-18(11-9-15)16(2)23-22(24)17(3)25-21-13-12-19-6-4-5-7-20(19)14-21/h8-14,16-17H,4-7H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 337.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 133187740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).