2-(4-cyanophenoxy)-N,N-dimethylpropanamide

C12H14N2O2 — CID 17400502

IUPAC2-(4-cyanophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)C
InChIInChI=1S/C12H14N2O2/c1-9(12(15)14(2)3)16-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3
InChIKeyAEQNFVVQBGRGLS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.41
Rot. Bonds3

About 2-(4-cyanophenoxy)-N,N-dimethylpropanamide

2-(4-cyanophenoxy)-N,N-dimethylpropanamide (PubChem CID 17400502) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N,N-dimethylpropanamide
PubChem CID17400502
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(4-cyanophenoxy)-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)C
InChIInChI=1S/C12H14N2O2/c1-9(12(15)14(2)3)16-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3
InChIKeyAEQNFVVQBGRGLS-UHFFFAOYSA-N
XLogP1.41
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8636414
4-[5-(dimethylamino)-3-oxopent-4-en-2-yl]oxybenzonitrile
CID 2769058
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
4-(3-oxopentan-2-yloxy)benzonitrile
CID 64866744
4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 40895940
N,N-dimethyl-2-(4-nitrophenoxy)propanamide
CID 43887389

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N,N-dimethylpropanamide (CID 17400502) is 2-(4-cyanophenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N,N-dimethylpropanamide is CC(Oc1ccc(C#N)cc1)C(=O)N(C)C.
What is the InChIKey of 2-(4-cyanophenoxy)-N,N-dimethylpropanamide?
The InChIKey is AEQNFVVQBGRGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(12(15)14(2)3)16-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3.
What are the key properties of 2-(4-cyanophenoxy)-N,N-dimethylpropanamide?
2-(4-cyanophenoxy)-N,N-dimethylpropanamide has a molecular weight of 218.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 17400502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).