2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide

C26H28N2O3 — CID 17141286

IUPAC2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-18(2)31-22-16-14-21(15-17-22)25(29)28-24-13-9-8-12-23(24)26(30)27-19(3)20-10-6-5-7-11-20/h5-19H,4H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyKWGVGEVBRFBVED-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.61
Rot. Bonds8

About 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide

2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide (PubChem CID 17141286) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
PubChem CID17141286
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-18(2)31-22-16-14-21(15-17-22)25(29)28-24-13-9-8-12-23(24)26(30)27-19(3)20-10-6-5-7-11-20/h5-19H,4H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyKWGVGEVBRFBVED-UHFFFAOYSA-N
XLogP5.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
2-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 17112659
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-butan-2-yl-2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 17151430
2-[(4-methoxybenzoyl)amino]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55655999
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide (CID 17141286) is 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
The InChIKey is KWGVGEVBRFBVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-18(2)31-22-16-14-21(15-17-22)25(29)28-24-13-9-8-12-23(24)26(30)27-19(3)20-10-6-5-7-11-20/h5-19H,4H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 17141286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).