2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide

C18H18N2O3 — CID 20992997

IUPAC2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c19-11-10-18(21)20-14-15-6-8-17(9-7-15)23-13-12-22-16-4-2-1-3-5-16/h1-9H,10,12-14H2,(H,20,21)
InChIKeySYZGWHDNLNVJIL-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.67
Rot. Bonds8

About 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide

2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide (PubChem CID 20992997) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
PubChem CID20992997
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C18H18N2O3/c19-11-10-18(21)20-14-15-6-8-17(9-7-15)23-13-12-22-16-4-2-1-3-5-16/h1-9H,10,12-14H2,(H,20,21)
InChIKeySYZGWHDNLNVJIL-UHFFFAOYSA-N
XLogP2.67
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.67
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-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-cyano-N-[[4-(4-phenylphenoxy)phenyl]methyl]acetamide
CID 20985387
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
2-cyano-N-[2-[4-(2-phenylethoxy)phenyl]ethyl]acetamide
CID 22684460
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
2-cyano-N-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22687439
2-cyano-N-[[4-methoxy-3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990609
2-cyano-N-[[4-(4-methoxyphenoxy)phenyl]methyl]acetamide
CID 20984709
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide (CID 20992997) is 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide is N#CCC(=O)NCc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is SYZGWHDNLNVJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c19-11-10-18(21)20-14-15-6-8-17(9-7-15)23-13-12-22-16-4-2-1-3-5-16/h1-9H,10,12-14H2,(H,20,21).
What are the key properties of 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide?
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 20992997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).