N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide

C21H26N2O3 — CID 50979662

IUPACN-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCC(=O)NCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-20(24)23-18-10-12-19(13-11-18)26-15-21(25)22-14-4-5-17-8-6-16(2)7-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKHWLLJJBRUOLLW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.47
Rot. Bonds9

About N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide

N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide (PubChem CID 50979662) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
PubChem CID50979662
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(OCC(=O)NCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-20(24)23-18-10-12-19(13-11-18)26-15-21(25)22-14-4-5-17-8-6-16(2)7-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKHWLLJJBRUOLLW-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
N-(4-butylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7788208
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide (CID 50979662) is N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide is CCC(=O)Nc1ccc(OCC(=O)NCCCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide?
The InChIKey is KHWLLJJBRUOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-20(24)23-18-10-12-19(13-11-18)26-15-21(25)22-14-4-5-17-8-6-16(2)7-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide?
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 50979662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).