N-(4-cyanophenyl)-2-propan-2-yloxypropanamide

C13H16N2O2 — CID 43824380

IUPACN-(4-cyanophenyl)-2-propan-2-yloxypropanamide
SMILESCC(C)OC(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-9(2)17-10(3)13(16)15-12-6-4-11(8-14)5-7-12/h4-7,9-10H,1-3H3,(H,15,16)
InChIKeyDVMIFSVETKMNHX-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.31
Rot. Bonds4

About N-(4-cyanophenyl)-2-propan-2-yloxypropanamide

N-(4-cyanophenyl)-2-propan-2-yloxypropanamide (PubChem CID 43824380) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-propan-2-yloxypropanamide
PubChem CID43824380
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-cyanophenyl)-2-propan-2-yloxypropanamide
SMILESCC(C)OC(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-9(2)17-10(3)13(16)15-12-6-4-11(8-14)5-7-12/h4-7,9-10H,1-3H3,(H,15,16)
InChIKeyDVMIFSVETKMNHX-UHFFFAOYSA-N
XLogP2.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7504822
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
N-(4-cyanophenyl)-2-pentoxypropanamide
CID 43275133
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848231
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848233
N-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7775371
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535194
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-propan-2-yloxypropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-propan-2-yloxypropanamide (CID 43824380) is N-(4-cyanophenyl)-2-propan-2-yloxypropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-propan-2-yloxypropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-propan-2-yloxypropanamide is CC(C)OC(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-propan-2-yloxypropanamide?
The InChIKey is DVMIFSVETKMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)17-10(3)13(16)15-12-6-4-11(8-14)5-7-12/h4-7,9-10H,1-3H3,(H,15,16).
What are the key properties of N-(4-cyanophenyl)-2-propan-2-yloxypropanamide?
N-(4-cyanophenyl)-2-propan-2-yloxypropanamide has a molecular weight of 232.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-propan-2-yloxypropanamide is sourced from PubChem (CID 43824380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).