N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide

C15H20N2O2 — CID 29001628

IUPACN-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
SMILESCC(C)CCCOCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N2O2/c1-12(2)6-5-9-19-11-15(18)17-14-8-4-3-7-13(14)10-16/h3-4,7-8,12H,5-6,9,11H2,1-2H3,(H,17,18)
InChIKeyHTNKBFDLWBOCSF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.95
Rot. Bonds7

About N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide

N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide (PubChem CID 29001628) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
PubChem CID29001628
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide
SMILESCC(C)CCCOCC(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H20N2O2/c1-12(2)6-5-9-19-11-15(18)17-14-8-4-3-7-13(14)10-16/h3-4,7-8,12H,5-6,9,11H2,1-2H3,(H,17,18)
InChIKeyHTNKBFDLWBOCSF-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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-cyanophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749554
N-(2-cyanophenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62382807
N-(2-cyanophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004789
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
N-(2-cyanophenyl)-3-(2-methylpentoxy)propanamide
CID 103283763
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011
[2-(2-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7266075
N-(2-cyanophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982248
[2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754844
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide (CID 29001628) is N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide is CC(C)CCCOCC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide?
The InChIKey is HTNKBFDLWBOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(2)6-5-9-19-11-15(18)17-14-8-4-3-7-13(14)10-16/h3-4,7-8,12H,5-6,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide?
N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-methylpentoxy)acetamide is sourced from PubChem (CID 29001628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).