N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide

C21H25NO3 — CID 7788208

IUPACN-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCCCc1ccc(NC(=O)COc2ccc(C(=O)CC)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-3-5-6-16-7-11-18(12-8-16)22-21(24)15-25-19-13-9-17(10-14-19)20(23)4-2/h7-14H,3-6,15H2,1-2H3,(H,22,24)
InChIKeySPRIFGJMYXGKGR-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.64
Rot. Bonds9

About N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide

N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide (PubChem CID 7788208) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
PubChem CID7788208
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
SMILESCCCCc1ccc(NC(=O)COc2ccc(C(=O)CC)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-3-5-6-16-7-11-18(12-8-16)22-21(24)15-25-19-13-9-17(10-14-19)20(23)4-2/h7-14H,3-6,15H2,1-2H3,(H,22,24)
InChIKeySPRIFGJMYXGKGR-UHFFFAOYSA-N
XLogP4.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
2-(4-aminophenoxy)-N-(4-propylphenyl)acetamide
CID 61027141
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide (CID 7788208) is N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide is CCCCc1ccc(NC(=O)COc2ccc(C(=O)CC)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide?
The InChIKey is SPRIFGJMYXGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-5-6-16-7-11-18(12-8-16)22-21(24)15-25-19-13-9-17(10-14-19)20(23)4-2/h7-14H,3-6,15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide?
N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7788208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).