N-(4-cyanophenyl)-2-pentoxypropanamide

C15H20N2O2 — CID 43275133

IUPACN-(4-cyanophenyl)-2-pentoxypropanamide
SMILESCCCCCOC(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-5-10-19-12(2)15(18)17-14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyPEEBKYRABBPPHM-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.09
Rot. Bonds7

About N-(4-cyanophenyl)-2-pentoxypropanamide

N-(4-cyanophenyl)-2-pentoxypropanamide (PubChem CID 43275133) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-pentoxypropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-pentoxypropanamide
PubChem CID43275133
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(4-cyanophenyl)-2-pentoxypropanamide
SMILESCCCCCOC(C)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2/c1-3-4-5-10-19-12(2)15(18)17-14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyPEEBKYRABBPPHM-UHFFFAOYSA-N
XLogP3.09
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.09
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-(4-cyanophenyl)-2-phenylmethoxypropanamide
CID 43187551
N-(4-cyanophenyl)-2-propan-2-yloxypropanamide
CID 43824380
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
4-butan-2-yloxy-N-(4-cyanophenyl)butanamide
CID 54943716
N-(4-cyanophenyl)pentanamide
CID 2162994
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848231
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848233
3-[4-(2-butoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541015
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 22110181
N-[(4-cyanophenyl)carbamothioyl]-4-hexoxybenzamide
CID 4933897
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985979

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-pentoxypropanamide?
The IUPAC name of N-(4-cyanophenyl)-2-pentoxypropanamide (CID 43275133) is N-(4-cyanophenyl)-2-pentoxypropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-pentoxypropanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-pentoxypropanamide is CCCCCOC(C)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-pentoxypropanamide?
The InChIKey is PEEBKYRABBPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-4-5-10-19-12(2)15(18)17-14-8-6-13(11-16)7-9-14/h6-9,12H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-2-pentoxypropanamide?
N-(4-cyanophenyl)-2-pentoxypropanamide has a molecular weight of 260.34 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-pentoxypropanamide is sourced from PubChem (CID 43275133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).