N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide

C27H30N2O4 — CID 58445785

IUPACN-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide
SMILESCCCCc1ccc(OC(C)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2C)cc1
InChIInChI=1S/C27H30N2O4/c1-4-5-9-20-12-14-22(15-13-20)33-19(3)26(31)28-23-17-25(30)24(16-18(23)2)29-27(32)21-10-7-6-8-11-21/h6-8,10-17,19,30H,4-5,9H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyKXESHMFFVSUEBY-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.70
Rot. Bonds9

About N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide

N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide (PubChem CID 58445785) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide
PubChem CID58445785
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide
SMILESCCCCc1ccc(OC(C)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2C)cc1
InChIInChI=1S/C27H30N2O4/c1-4-5-9-20-12-14-22(15-13-20)33-19(3)26(31)28-23-17-25(30)24(16-18(23)2)29-27(32)21-10-7-6-8-11-21/h6-8,10-17,19,30H,4-5,9H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyKXESHMFFVSUEBY-UHFFFAOYSA-N
XLogP5.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781731
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 53266069
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
N-[4-[2-(4-aminophenoxy)tetradecanoylamino]-5-chloro-2-hydroxyphenyl]benzamide
CID 14122422
N-[2,5-diethoxy-4-[2-(4-fluorophenoxy)propanoylamino]phenyl]benzamide
CID 43008457
N-[4-[2-(2,4-dimethylphenoxy)propanoylamino]-5-fluoro-2-hydroxyphenyl]benzamide
CID 20576475
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53268112
2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
CID 17131474

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide?
The IUPAC name of N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide (CID 58445785) is N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide?
The canonical SMILES for N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide is CCCCc1ccc(OC(C)C(=O)Nc2cc(O)c(NC(=O)c3ccccc3)cc2C)cc1.
What is the InChIKey of N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide?
The InChIKey is KXESHMFFVSUEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-4-5-9-20-12-14-22(15-13-20)33-19(3)26(31)28-23-17-25(30)24(16-18(23)2)29-27(32)21-10-7-6-8-11-21/h6-8,10-17,19,30H,4-5,9H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide?
N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 5.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide is sourced from PubChem (CID 58445785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).