N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide

C16H22N2O3 — CID 106447596

IUPACN-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
SMILESCC(C)COCCOC(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N2O3/c1-12(2)11-20-8-9-21-13(3)16(19)18-15-7-5-4-6-14(15)10-17/h4-7,12-13H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyZQUQQCSDCIOECE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds8

About N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide

N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide (PubChem CID 106447596) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
PubChem CID106447596
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
SMILESCC(C)COCCOC(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N2O3/c1-12(2)11-20-8-9-21-13(3)16(19)18-15-7-5-4-6-14(15)10-17/h4-7,12-13H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyZQUQQCSDCIOECE-UHFFFAOYSA-N
XLogP2.57
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
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-propoxyethoxy)propanamide
CID 63686205
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
(2S)-2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-cyanophenyl)propanamide
CID 7643356
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
N-(2-cyanophenyl)-2-(3-methylphenoxy)propanamide
CID 2989906
N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
CID 103283763
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide (CID 106447596) is N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide is CC(C)COCCOC(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide?
The InChIKey is ZQUQQCSDCIOECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)11-20-8-9-21-13(3)16(19)18-15-7-5-4-6-14(15)10-17/h4-7,12-13H,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide?
N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide has a molecular weight of 290.36 g/mol, XLogP of 2.57, 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-(2-methylpropoxy)ethoxy]propanamide is sourced from PubChem (CID 106447596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).