N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide

C28H30N2O3 — CID 133224676

IUPACN-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C28H30N2O3/c1-20(33-26-17-9-13-22-12-5-6-14-23(22)26)27(31)30-25-16-8-7-15-24(25)28(32)29-19-18-21-10-3-2-4-11-21/h2-4,7-11,13,15-17,20H,5-6,12,14,18-19H2,1H3,(H,29,32)(H,30,31)
InChIKeyZJMSHJWUQIMXII-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.94
Rot. Bonds8

About N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide

N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide (PubChem CID 133224676) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
PubChem CID133224676
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C28H30N2O3/c1-20(33-26-17-9-13-22-12-5-6-14-23(22)26)27(31)30-25-16-8-7-15-24(25)28(32)29-19-18-21-10-3-2-4-11-21/h2-4,7-11,13,15-17,20H,5-6,12,14,18-19H2,1H3,(H,29,32)(H,30,31)
InChIKeyZJMSHJWUQIMXII-UHFFFAOYSA-N
XLogP4.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133200022
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide
CID 100761484
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzamide
CID 38007326
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
N-propan-2-yl-2-[[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetyl]amino]benzamide
CID 100502815

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide (CID 133224676) is N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide is CC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide?
The InChIKey is ZJMSHJWUQIMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-20(33-26-17-9-13-22-12-5-6-14-23(22)26)27(31)30-25-16-8-7-15-24(25)28(32)29-19-18-21-10-3-2-4-11-21/h2-4,7-11,13,15-17,20H,5-6,12,14,18-19H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide?
N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide is sourced from PubChem (CID 133224676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).