N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide

C23H29NO5 — CID 18269206

IUPACN-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H29NO5/c1-4-5-6-15-29-18-9-7-17(8-10-18)21(25)13-14-23(26)24-20-12-11-19(27-2)16-22(20)28-3/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,26)
InChIKeyYQUFXFFYIAGYEZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.87
Rot. Bonds12

About N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide

N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide (PubChem CID 18269206) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
PubChem CID18269206
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC NameN-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H29NO5/c1-4-5-6-15-29-18-9-7-17(8-10-18)21(25)13-14-23(26)24-20-12-11-19(27-2)16-22(20)28-3/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,26)
InChIKeyYQUFXFFYIAGYEZ-UHFFFAOYSA-N
XLogP4.87
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 60605434
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
4-methyl-3-[[4-oxo-4-(4-pentoxyphenyl)butanoyl]amino]benzamide
CID 60602890
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16503892
N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 36522730
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143686
N-(2-amino-5-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119421709
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide (CID 18269206) is N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide is CCCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
The InChIKey is YQUFXFFYIAGYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-4-5-6-15-29-18-9-7-17(8-10-18)21(25)13-14-23(26)24-20-12-11-19(27-2)16-22(20)28-3/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide?
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide has a molecular weight of 399.49 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide is sourced from PubChem (CID 18269206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).