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

C18H18N2O2 — CID 168520539

IUPAC2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C18H18N2O2/c19-13-12-18(21)20-16-10-4-5-11-17(16)22-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12,14H2,(H,20,21)
InChIKeyYOBXZRUURQHGDU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.55
Rot. Bonds7

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

2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 168520539) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID168520539
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C18H18N2O2/c19-13-12-18(21)20-16-10-4-5-11-17(16)22-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12,14H2,(H,20,21)
InChIKeyYOBXZRUURQHGDU-UHFFFAOYSA-N
XLogP3.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-cyano-N-[2-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 168521174
2-cyano-N-[[2-(3-phenylpropoxy)phenyl]methyl]acetamide
CID 22683914
2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
2-cyano-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168520948
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54829343
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 168520539) is 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide is N#CCC(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is YOBXZRUURQHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-13-12-18(21)20-16-10-4-5-11-17(16)22-14-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11H,6,9,12,14H2,(H,20,21).
What are the key properties of 2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 3.55, 7 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]acetamide is sourced from PubChem (CID 168520539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).