N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide

C26H35FN2O4 — CID 132719166

IUPACN-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C26H35FN2O4/c1-4-6-17-28-26(31)24(5-2)29(19-20-9-11-21(27)12-10-20)25(30)8-7-18-33-23-15-13-22(32-3)14-16-23/h9-16,24H,4-8,17-19H2,1-3H3,(H,28,31)
InChIKeyMHEZNJSZMOQWES-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.72
Rot. Bonds14

About N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide

N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide (PubChem CID 132719166) has the molecular formula C26H35FN2O4 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide
PubChem CID132719166
Molecular FormulaC26H35FN2O4
Molecular Weight458.57 g/mol
Exact Mass458.26
IUPAC NameN-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C26H35FN2O4/c1-4-6-17-28-26(31)24(5-2)29(19-20-9-11-21(27)12-10-20)25(30)8-7-18-33-23-15-13-22(32-3)14-16-23/h9-16,24H,4-8,17-19H2,1-3H3,(H,28,31)
InChIKeyMHEZNJSZMOQWES-UHFFFAOYSA-N
XLogP4.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]butanamide
CID 132714719
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 132707947
(2R)-2-[4-(4-chlorophenoxy)butanoyl-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100581522
(2S)-2-[4-(4-methoxyphenoxy)butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561539
N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxy-N-methylsulfonylanilino)butanoyl]amino]butanamide
CID 132734863
2-[4-(4-chlorophenoxy)butanoyl-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132673986
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526
(2R)-2-[4-(4-methylphenoxy)butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561486
(2R)-N-cyclohexyl-2-[4-(4-methoxyphenoxy)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100598775
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
2-[(3,4-dichlorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]-N-propylbutanamide
CID 132679282
(2R)-N-[(2S)-butan-2-yl]-2-[4-(4-chlorophenoxy)butanoyl-[(4-fluorophenyl)methyl]amino]butanamide
CID 100713138

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide?
The IUPAC name of N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide (CID 132719166) is N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide.
What is the SMILES notation for N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide?
The canonical SMILES for N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide is CCCCNC(=O)C(CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide?
The InChIKey is MHEZNJSZMOQWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O4/c1-4-6-17-28-26(31)24(5-2)29(19-20-9-11-21(27)12-10-20)25(30)8-7-18-33-23-15-13-22(32-3)14-16-23/h9-16,24H,4-8,17-19H2,1-3H3,(H,28,31).
What are the key properties of N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide?
N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide has a molecular weight of 458.57 g/mol, XLogP of 4.72, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-fluorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide is sourced from PubChem (CID 132719166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).