2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide

C17H18N2O4 — CID 51287827

IUPAC2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCCOCc1ccco1
InChIInChI=1S/C17H18N2O4/c18-11-14-5-1-2-7-16(14)23-13-17(20)19-8-4-9-21-12-15-6-3-10-22-15/h1-3,5-7,10H,4,8-9,12-13H2,(H,19,20)
InChIKeyUTCZLLOPFWJFIT-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.25
Rot. Bonds9

About 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide

2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide (PubChem CID 51287827) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
PubChem CID51287827
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCCOCc1ccco1
InChIInChI=1S/C17H18N2O4/c18-11-14-5-1-2-7-16(14)23-13-17(20)19-8-4-9-21-12-15-6-3-10-22-15/h1-3,5-7,10H,4,8-9,12-13H2,(H,19,20)
InChIKeyUTCZLLOPFWJFIT-UHFFFAOYSA-N
XLogP2.25
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
CID 51296872
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide (CID 51287827) is 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide is N#Cc1ccccc1OCC(=O)NCCCOCc1ccco1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
The InChIKey is UTCZLLOPFWJFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c18-11-14-5-1-2-7-16(14)23-13-17(20)19-8-4-9-21-12-15-6-3-10-22-15/h1-3,5-7,10H,4,8-9,12-13H2,(H,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide?
2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]acetamide is sourced from PubChem (CID 51287827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).