N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C26H27NO3 — CID 133200251

IUPACN-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H27NO3/c1-2-24(30-22-17-16-19-10-6-7-11-20(19)18-22)26(28)27-23-14-8-9-15-25(23)29-21-12-4-3-5-13-21/h3-5,8-9,12-18,24H,2,6-7,10-11H2,1H3,(H,27,28)
InChIKeyQWYBDZRNCSJTDA-UHFFFAOYSA-N
MW401.51 g/mol
LogP6.15
Rot. Bonds7

About N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133200251) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133200251
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC NameN-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H27NO3/c1-2-24(30-22-17-16-19-10-6-7-11-20(19)18-22)26(28)27-23-14-8-9-15-25(23)29-21-12-4-3-5-13-21/h3-5,8-9,12-18,24H,2,6-7,10-11H2,1H3,(H,27,28)
InChIKeyQWYBDZRNCSJTDA-UHFFFAOYSA-N
XLogP6.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162801
(2R)-N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100745817
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 21173380
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 100561674
(2R)-2-(3-methylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 28573798
N-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833
methyl 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzoate
CID 133186921
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide
CID 133201842

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133200251) is N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is QWYBDZRNCSJTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-2-24(30-22-17-16-19-10-6-7-11-20(19)18-22)26(28)27-23-14-8-9-15-25(23)29-21-12-4-3-5-13-21/h3-5,8-9,12-18,24H,2,6-7,10-11H2,1H3,(H,27,28).
What are the key properties of N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 401.51 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133200251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).