2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide

C19H20N2O2 — CID 22683914

IUPAC2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C19H20N2O2/c20-13-12-19(22)21-15-17-10-4-5-11-18(17)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12,14-15H2,(H,21,22)
InChIKeyVXZSNVOSJBSYTQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.23
Rot. Bonds8

About 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide

2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide (PubChem CID 22683914) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
PubChem CID22683914
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
SMILESN#CCC(=O)NCc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C19H20N2O2/c20-13-12-19(22)21-15-17-10-4-5-11-18(17)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12,14-15H2,(H,21,22)
InChIKeyVXZSNVOSJBSYTQ-UHFFFAOYSA-N
XLogP3.23
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(2-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985367
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
2-cyano-N-[2-[4-methoxy-2-(3-phenylpropoxy)phenyl]ethyl]acetamide
CID 22685010
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
2-cyano-N-[[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22681411
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
2-[[2-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 20989800
4-oxo-4-[2-[2-(3-phenylpropoxy)phenyl]ethylamino]butanoic acid
CID 20987384
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide (CID 22683914) is 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide is N#CCC(=O)NCc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide?
The InChIKey is VXZSNVOSJBSYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c20-13-12-19(22)21-15-17-10-4-5-11-18(17)23-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12,14-15H2,(H,21,22).
What are the key properties of 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide?
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 22683914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).