2-cyano-N-(4-prop-2-enoxyphenyl)acetamide

C12H12N2O2 — CID 168522487

IUPAC2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-16-11-5-3-10(4-6-11)14-12(15)7-8-13/h2-6H,1,7,9H2,(H,14,15)
InChIKeyHNPYTLPWIPUMBR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.10
Rot. Bonds5

About 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide

2-cyano-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 168522487) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID168522487
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-cyano-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C12H12N2O2/c1-2-9-16-11-5-3-10(4-6-11)14-12(15)7-8-13/h2-6H,1,7,9H2,(H,14,15)
InChIKeyHNPYTLPWIPUMBR-UHFFFAOYSA-N
XLogP2.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-bromo-N-(4-prop-2-enoxyphenyl)acetamide
CID 23624716
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476
2-cyano-N-[4-[4-[(2-isocyanoacetyl)amino]phenoxy]phenyl]acetamide
CID 123897788
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
3-(4-fluorophenyl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 100514728
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952511
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide (CID 168522487) is 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is HNPYTLPWIPUMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-16-11-5-3-10(4-6-11)14-12(15)7-8-13/h2-6H,1,7,9H2,(H,14,15).
What are the key properties of 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide?
2-cyano-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 216.24 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 168522487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).