N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C22H27NO2 — CID 133261915

IUPACN-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)NCCCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-17(22(24)23-16-8-11-18-9-3-2-4-10-18)25-21-15-7-13-19-12-5-6-14-20(19)21/h2-4,7,9-10,13,15,17H,5-6,8,11-12,14,16H2,1H3,(H,23,24)
InChIKeyBHKKTSBLUDPOMM-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.08
Rot. Bonds7

About N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133261915) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133261915
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)NCCCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-17(22(24)23-16-8-11-18-9-3-2-4-10-18)25-21-15-7-13-19-12-5-6-14-20(19)21/h2-4,7,9-10,13,15,17H,5-6,8,11-12,14,16H2,1H3,(H,23,24)
InChIKeyBHKKTSBLUDPOMM-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
CID 133224676
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133234673
N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184885

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133261915) is N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC(Oc1cccc2c1CCCC2)C(=O)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is BHKKTSBLUDPOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17(22(24)23-16-8-11-18-9-3-2-4-10-18)25-21-15-7-13-19-12-5-6-14-20(19)21/h2-4,7,9-10,13,15,17H,5-6,8,11-12,14,16H2,1H3,(H,23,24).
What are the key properties of N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 337.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133261915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).