N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide

C15H20N2O3 — CID 63685828

IUPACN-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
SMILESCCCOCCOCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3/c1-2-8-19-10-11-20-9-7-15(18)17-14-5-3-13(12-16)4-6-14/h3-6H,2,7-11H2,1H3,(H,17,18)
InChIKeyLBIXQNNPVOXEJO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds9

About N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide

N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide (PubChem CID 63685828) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
PubChem CID63685828
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
SMILESCCCOCCOCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3/c1-2-8-19-10-11-20-9-7-15(18)17-14-5-3-13(12-16)4-6-14/h3-6H,2,7-11H2,1H3,(H,17,18)
InChIKeyLBIXQNNPVOXEJO-UHFFFAOYSA-N
XLogP2.33
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-3-(2,2-difluoroethoxy)propanamide
CID 82005179
N-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 29001508
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-[4-(3-chloropropoxy)phenyl]-3-propoxypropanamide
CID 139895559
N-[4-(3-hydroxypropoxy)phenyl]-3-propoxypropanamide
CID 139895573
N-[4-(2-chloroethoxy)phenyl]-3-propoxypropanamide
CID 139895595
methyl 4-(4-cyanoanilino)-4-oxobutanoate
CID 721957

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide (CID 63685828) is N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide is CCCOCCOCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide?
The InChIKey is LBIXQNNPVOXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-8-19-10-11-20-9-7-15(18)17-14-5-3-13(12-16)4-6-14/h3-6H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide?
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide is sourced from PubChem (CID 63685828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).