N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide

C15H20N2O3 — CID 63686205

IUPACN-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
SMILESCCCOCCOC(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N2O3/c1-3-8-19-9-10-20-12(2)15(18)17-14-7-5-4-6-13(14)11-16/h4-7,12H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyLVURCGIDHZAPSD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds8

About N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide

N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide (PubChem CID 63686205) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
PubChem CID63686205
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
SMILESCCCOCCOC(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N2O3/c1-3-8-19-9-10-20-12(2)15(18)17-14-7-5-4-6-13(14)11-16/h4-7,12H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyLVURCGIDHZAPSD-UHFFFAOYSA-N
XLogP2.33
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447596
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
CID 7643356
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (E)-pent-2-enoate
CID 8673374
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8572716
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide (CID 63686205) is N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide is CCCOCCOC(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide?
The InChIKey is LVURCGIDHZAPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-8-19-9-10-20-12(2)15(18)17-14-7-5-4-6-13(14)11-16/h4-7,12H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide?
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide is sourced from PubChem (CID 63686205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).