2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C26H25NO2 — CID 57082101

IUPAC2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESNC(=O)C(CC1CCCc2ccccc21)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H25NO2/c27-26(29)24(17-20-13-8-12-18-9-4-5-14-21(18)20)22-15-6-7-16-23(22)25(28)19-10-2-1-3-11-19/h1-7,9-11,14-16,20,24H,8,12-13,17H2,(H2,27,29)
InChIKeyVJSWPBHEPLULCY-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.00
Rot. Bonds6

About 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 57082101) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID57082101
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESNC(=O)C(CC1CCCc2ccccc21)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H25NO2/c27-26(29)24(17-20-13-8-12-18-9-4-5-14-21(18)20)22-15-6-7-16-23(22)25(28)19-10-2-1-3-11-19/h1-7,9-11,14-16,20,24H,8,12-13,17H2,(H2,27,29)
InChIKeyVJSWPBHEPLULCY-UHFFFAOYSA-N
XLogP5.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 57264038
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
2-(N-phenylanilino)-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 57286151
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 57082101) is 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is NC(=O)C(CC1CCCc2ccccc21)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is VJSWPBHEPLULCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c27-26(29)24(17-20-13-8-12-18-9-4-5-14-21(18)20)22-15-6-7-16-23(22)25(28)19-10-2-1-3-11-19/h1-7,9-11,14-16,20,24H,8,12-13,17H2,(H2,27,29).
What are the key properties of 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 57082101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).