N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide

C24H30N2O5 — CID 36522730

IUPACN-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)COC)c2)cc1
InChIInChI=1S/C24H30N2O5/c1-3-4-5-15-31-21-11-9-18(10-12-21)22(27)13-14-23(28)25-19-7-6-8-20(16-19)26-24(29)17-30-2/h6-12,16H,3-5,13-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFDSOXNVSXCBEAC-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.44
Rot. Bonds13

About N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide

N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide (PubChem CID 36522730) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
PubChem CID36522730
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)COC)c2)cc1
InChIInChI=1S/C24H30N2O5/c1-3-4-5-15-31-21-11-9-18(10-12-21)22(27)13-14-23(28)25-19-7-6-8-20(16-19)26-24(29)17-30-2/h6-12,16H,3-5,13-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFDSOXNVSXCBEAC-UHFFFAOYSA-N
XLogP4.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide 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-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
N-(1-methylpyrazol-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 32603422
4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
CID 60602890
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
4-oxo-4-(4-propoxyphenyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 33498608
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188635

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide (CID 36522730) is N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide is CCCCCOc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)COC)c2)cc1.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide?
The InChIKey is FDSOXNVSXCBEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-3-4-5-15-31-21-11-9-18(10-12-21)22(27)13-14-23(28)25-19-7-6-8-20(16-19)26-24(29)17-30-2/h6-12,16H,3-5,13-15,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide?
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide has a molecular weight of 426.51 g/mol, XLogP of 4.44, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide is sourced from PubChem (CID 36522730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).