2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide

C26H28N2O3 — CID 8766894

IUPAC2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-3-4-18-31-24-17-11-9-15-22(24)26(30)28-23-16-10-8-14-21(23)25(29)27-19(2)20-12-6-5-7-13-20/h5-17,19H,3-4,18H2,1-2H3,(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyRUWISAZRCQHNMW-LJQANCHMSA-N
MW416.52 g/mol
LogP5.61
Rot. Bonds9

About 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide

2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 8766894) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID8766894
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-3-4-18-31-24-17-11-9-15-22(24)26(30)28-23-16-10-8-14-21(23)25(29)27-19(2)20-12-6-5-7-13-20/h5-17,19H,3-4,18H2,1-2H3,(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyRUWISAZRCQHNMW-LJQANCHMSA-N
XLogP5.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
2-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 17112659
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide (CID 8766894) is 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is RUWISAZRCQHNMW-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-4-18-31-24-17-11-9-15-22(24)26(30)28-23-16-10-8-14-21(23)25(29)27-19(2)20-12-6-5-7-13-20/h5-17,19H,3-4,18H2,1-2H3,(H,27,29)(H,28,30)/t19-/m1/s1.
What are the key properties of 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 8766894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).