2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide

C26H28N2O4 — CID 17149792

IUPAC2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C26H28N2O4/c1-4-18(3)32-22-10-8-9-19(17-22)25(29)28-24-12-7-6-11-23(24)26(30)27-20-13-15-21(16-14-20)31-5-2/h6-18H,4-5H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyDKURAZBVLDYDGN-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.77
Rot. Bonds9

About 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide

2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 17149792) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID17149792
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C26H28N2O4/c1-4-18(3)32-22-10-8-9-19(17-22)25(29)28-24-12-7-6-11-23(24)26(30)27-20-13-15-21(16-14-20)31-5-2/h6-18H,4-5H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyDKURAZBVLDYDGN-UHFFFAOYSA-N
XLogP5.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-phenylbenzamide
CID 17150000
2-[(3-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17149781
3-butan-2-yloxy-N-(4-heptoxyphenyl)benzamide
CID 17149809
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
N-(4-ethoxyphenyl)-2-(2-phenoxybutanoylamino)benzamide
CID 4929653
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
2-anilino-N-(4-butan-2-yloxyphenyl)benzamide
CID 54784852

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide (CID 17149792) is 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is DKURAZBVLDYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-4-18(3)32-22-10-8-9-19(17-22)25(29)28-24-12-7-6-11-23(24)26(30)27-20-13-15-21(16-14-20)31-5-2/h6-18H,4-5H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide?
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 5.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 17149792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).