2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide

C21H24N2O3 — CID 60513974

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)COc1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-17(19-6-3-2-4-7-19)25-15-5-14-23-21(24)16-26-20-10-8-18(9-11-20)12-13-22/h2-4,6-11,17H,5,12,14-16H2,1H3,(H,23,24)
InChIKeyDJMGZTSPSPYPLJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.42
Rot. Bonds10

About 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide

2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 60513974) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID60513974
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(OCCCNC(=O)COc1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-17(19-6-3-2-4-7-19)25-15-5-14-23-21(24)16-26-20-10-8-18(9-11-20)12-13-22/h2-4,6-11,17H,5,12,14-16H2,1H3,(H,23,24)
InChIKeyDJMGZTSPSPYPLJ-UHFFFAOYSA-N
XLogP3.42
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.42
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

2-[4-(cyanomethyl)phenoxy]-N-(3-cyanopropyl)acetamide
CID 75454453
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
N-[3-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethoxy]phenyl]furan-2-carboxamide
CID 46408775
N-[5-(1,3-dihydroxypropan-2-yloxy)pentyl]-2-phenoxyacetamide
CID 139623089
3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 134039850
2-chloro-N-[2-[4-(cyanomethyl)phenoxy]ethyl]acetamide
CID 146086113
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 120608327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide (CID 60513974) is 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide is CC(OCCCNC(=O)COc1ccc(CC#N)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is DJMGZTSPSPYPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-17(19-6-3-2-4-7-19)25-15-5-14-23-21(24)16-26-20-10-8-18(9-11-20)12-13-22/h2-4,6-11,17H,5,12,14-16H2,1H3,(H,23,24).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide?
2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 60513974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).