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

C26H25NO3 — CID 133200022

IUPACN-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-18(30-24-17-9-13-19-10-5-6-14-21(19)24)26(29)27-23-16-8-7-15-22(23)25(28)20-11-3-2-4-12-20/h2-4,7-9,11-13,15-18H,5-6,10,14H2,1H3,(H,27,29)
InChIKeyXCLABWBXNKLJPW-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.20
Rot. Bonds6

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

N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133200022) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133200022
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC NameN-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-18(30-24-17-9-13-19-10-5-6-14-21(19)24)26(29)27-23-16-8-7-15-22(23)25(28)20-11-3-2-4-12-20/h2-4,7-9,11-13,15-18H,5-6,10,14H2,1H3,(H,27,29)
InChIKeyXCLABWBXNKLJPW-UHFFFAOYSA-N
XLogP5.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
CID 133224676
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
methyl 3-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]amino]benzoate
CID 100682861
methyl 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzoate
CID 133163126
(2R)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100751464
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
N-(3-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133162928
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238
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-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133200022) is N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC(Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is XCLABWBXNKLJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-18(30-24-17-9-13-19-10-5-6-14-21(19)24)26(29)27-23-16-8-7-15-22(23)25(28)20-11-3-2-4-12-20/h2-4,7-9,11-13,15-18H,5-6,10,14H2,1H3,(H,27,29).
What are the key properties of N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 399.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133200022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).