N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide

C14H18N2O3 — CID 104849122

IUPACN-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H18N2O3/c1-3-7-19-8-6-14(17)16-12-5-4-11(10-15)9-13(12)18-2/h4-5,9H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyAHQILXIIOPPJOL-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.32
Rot. Bonds7

About N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide

N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide (PubChem CID 104849122) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
PubChem CID104849122
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C14H18N2O3/c1-3-7-19-8-6-14(17)16-12-5-4-11(10-15)9-13(12)18-2/h4-5,9H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyAHQILXIIOPPJOL-UHFFFAOYSA-N
XLogP2.32
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.32
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-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
1-butyl-3-(4-cyano-2-methoxyphenyl)urea
CID 104844634
N-(4-cyano-2-methoxyphenyl)-2-methylpentanamide
CID 104848955
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide (CID 104849122) is N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(C#N)cc1OC.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide?
The InChIKey is AHQILXIIOPPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-7-19-8-6-14(17)16-12-5-4-11(10-15)9-13(12)18-2/h4-5,9H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide?
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide has a molecular weight of 262.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide is sourced from PubChem (CID 104849122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).