4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide

C27H28N2O5 — CID 4270360

IUPAC4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C27H28N2O5/c1-3-33-24-16-12-23(13-17-24)29-27(32)21-6-10-22(11-7-21)28-26(31)5-4-18-34-25-14-8-20(9-15-25)19(2)30/h6-17H,3-5,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyYBIJGLGBKVRWRB-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.34
Rot. Bonds11

About 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide

4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 4270360) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
PubChem CID4270360
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C27H28N2O5/c1-3-33-24-16-12-23(13-17-24)29-27(32)21-6-10-22(11-7-21)28-26(31)5-4-18-34-25-14-8-20(9-15-25)19(2)30/h6-17H,3-5,18H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyYBIJGLGBKVRWRB-UHFFFAOYSA-N
XLogP5.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7926976
4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
CID 23520545
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide (CID 4270360) is 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is YBIJGLGBKVRWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-3-33-24-16-12-23(13-17-24)29-27(32)21-6-10-22(11-7-21)28-26(31)5-4-18-34-25-14-8-20(9-15-25)19(2)30/h6-17H,3-5,18H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide?
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 460.53 g/mol, XLogP of 5.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 4270360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).