N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C22H26N2O5 — CID 55727969

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OCCC(N)=O)cc2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-14-28-18-7-3-16(4-8-18)20(25)11-12-22(27)24-17-5-9-19(10-6-17)29-15-13-21(23)26/h3-10H,2,11-15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyXGIUTAINSNBZEA-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.33
Rot. Bonds12

About N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55727969) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55727969
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OCCC(N)=O)cc2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-14-28-18-7-3-16(4-8-18)20(25)11-12-22(27)24-17-5-9-19(10-6-17)29-15-13-21(23)26/h3-10H,2,11-15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyXGIUTAINSNBZEA-UHFFFAOYSA-N
XLogP3.33
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4938631
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763
N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55551846
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55727969) is N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(OCCC(N)=O)cc2)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is XGIUTAINSNBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-14-28-18-7-3-16(4-8-18)20(25)11-12-22(27)24-17-5-9-19(10-6-17)29-15-13-21(23)26/h3-10H,2,11-15H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 398.46 g/mol, XLogP of 3.33, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55727969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).