2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide

C26H28N2O3 — CID 17149781

IUPAC2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-4-18(2)31-22-14-10-13-21(17-22)25(29)28-24-16-9-8-15-23(24)26(30)27-19(3)20-11-6-5-7-12-20/h5-19H,4H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyAQUSEGWCOVQTNS-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.61
Rot. Bonds8

About 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide

2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide (PubChem CID 17149781) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
PubChem CID17149781
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-4-18(2)31-22-14-10-13-21(17-22)25(29)28-24-16-9-8-15-23(24)26(30)27-19(3)20-11-6-5-7-12-20/h5-19H,4H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyAQUSEGWCOVQTNS-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-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2-[(3-cyanobenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7758774
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 4957718
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-phenylbenzamide
CID 17150000
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 17140633

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide (CID 17149781) is 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
The InChIKey is AQUSEGWCOVQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-18(2)31-22-14-10-13-21(17-22)25(29)28-24-16-9-8-15-23(24)26(30)27-19(3)20-11-6-5-7-12-20/h5-19H,4H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide?
2-[(3-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-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 17149781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).