N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide

C16H22N2O2 — CID 103283763

IUPACN-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
SMILESCCCC(C)COCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N2O2/c1-3-6-13(2)12-20-10-9-16(19)18-15-8-5-4-7-14(15)11-17/h4-5,7-8,13H,3,6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRHEQRQPPCIEKCD-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.34
Rot. Bonds8

About N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide

N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide (PubChem CID 103283763) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
PubChem CID103283763
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
SMILESCCCC(C)COCCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H22N2O2/c1-3-6-13(2)12-20-10-9-16(19)18-15-8-5-4-7-14(15)11-17/h4-5,7-8,13H,3,6,9-10,12H2,1-2H3,(H,18,19)
InChIKeyRHEQRQPPCIEKCD-UHFFFAOYSA-N
XLogP3.34
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.34
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-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide
CID 103283160
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
CID 29001628
N-(2-cyanophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447596
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628
5-(2-cyanoanilino)-3-methyl-5-oxopentanoic acid
CID 55155791
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide (CID 103283763) is N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide is CCCC(C)COCCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide?
The InChIKey is RHEQRQPPCIEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-6-13(2)12-20-10-9-16(19)18-15-8-5-4-7-14(15)11-17/h4-5,7-8,13H,3,6,9-10,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide?
N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide has a molecular weight of 274.36 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide is sourced from PubChem (CID 103283763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).