N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide

C19H24N2O2 — CID 54818682

IUPACN-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-13-20-15-19(22)21-17-8-10-18(11-9-17)23-14-12-16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3,(H,21,22)
InChIKeyWCSHUHCZYTVGIV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.25
Rot. Bonds9

About N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide

N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide (PubChem CID 54818682) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
PubChem CID54818682
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O2/c1-2-13-20-15-19(22)21-17-8-10-18(11-9-17)23-14-12-16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3,(H,21,22)
InChIKeyWCSHUHCZYTVGIV-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.25
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-(4-butoxyphenyl)-2-(2-phenylethylamino)acetamide
CID 54815208
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
N-(4-methylphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54824064
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-[4-(2-phenylethoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822610
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide?
The IUPAC name of N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide (CID 54818682) is N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide?
The InChIKey is WCSHUHCZYTVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-13-20-15-19(22)21-17-8-10-18(11-9-17)23-14-12-16-6-4-3-5-7-16/h3-11,20H,2,12-15H2,1H3,(H,21,22).
What are the key properties of N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide?
N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethoxy)phenyl]-2-(propylamino)acetamide is sourced from PubChem (CID 54818682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).