N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide

C26H27NO3 — CID 132661546

IUPACN-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H27NO3/c1-18(30-21-16-14-20(15-17-21)26(2,3)4)25(29)27-23-13-9-8-12-22(23)24(28)19-10-6-5-7-11-19/h5-18H,1-4H3,(H,27,29)
InChIKeyQWSGXAYGMDKFSY-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.62
Rot. Bonds6

About N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide

N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 132661546) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID132661546
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC NameN-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C26H27NO3/c1-18(30-21-16-14-20(15-17-21)26(2,3)4)25(29)27-23-13-9-8-12-22(23)24(28)19-10-6-5-7-11-19/h5-18H,1-4H3,(H,27,29)
InChIKeyQWSGXAYGMDKFSY-UHFFFAOYSA-N
XLogP5.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
N-(2-aminoethyl)-2-[2-(4-tert-butylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120604424
(2R)-2-(4-tert-butylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 26199060
N-tert-butyl-2-(2-phenoxypropanoylamino)benzamide
CID 4939976
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
CID 55984335
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-tert-butylphenoxy)propanamide
CID 78810376
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide (CID 132661546) is N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is QWSGXAYGMDKFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-18(30-21-16-14-20(15-17-21)26(2,3)4)25(29)27-23-13-9-8-12-22(23)24(28)19-10-6-5-7-11-19/h5-18H,1-4H3,(H,27,29).
What are the key properties of N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide?
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 401.51 g/mol, XLogP of 5.62, 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-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 132661546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).