2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide

C26H28N2O3 — CID 8714570

IUPAC2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-4-18-31-22-16-14-21(15-17-22)25(29)28-24-13-9-8-12-23(24)26(30)27-19(2)20-10-6-5-7-11-20/h5-17,19H,3-4,18H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
InChIKeyLSGFDZWQDRJKRW-IBGZPJMESA-N
MW416.52 g/mol
LogP5.61
Rot. Bonds9

About 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide

2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 8714570) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID8714570
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-3-4-18-31-22-16-14-21(15-17-22)25(29)28-24-13-9-8-12-23(24)26(30)27-19(2)20-10-6-5-7-11-20/h5-17,19H,3-4,18H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1
InChIKeyLSGFDZWQDRJKRW-IBGZPJMESA-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-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
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-propan-2-ylbenzamide
CID 4935218
2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286
2-[(4-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 2943396
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 4936280
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide (CID 8714570) is 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is LSGFDZWQDRJKRW-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28N2O3/c1-3-4-18-31-22-16-14-21(15-17-22)25(29)28-24-13-9-8-12-23(24)26(30)27-19(2)20-10-6-5-7-11-20/h5-17,19H,3-4,18H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1.
What are the key properties of 2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide?
2-[(4-butoxybenzoyl)amino]-N-[(1S)-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-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 8714570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).