N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide

C19H20N2O3 — CID 58143446

IUPACN-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide
SMILESCCCCNC(=O)C(CC(=O)c1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C19H20N2O3/c1-2-3-10-21-19(23)16(18-5-4-11-24-18)12-17(22)15-8-6-14(13-20)7-9-15/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,23)
InChIKeyDBKLQPYSIQZQFZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds8

About N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide

N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide (PubChem CID 58143446) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide
PubChem CID58143446
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide
SMILESCCCCNC(=O)C(CC(=O)c1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C19H20N2O3/c1-2-3-10-21-19(23)16(18-5-4-11-24-18)12-17(22)15-8-6-14(13-20)7-9-15/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,23)
InChIKeyDBKLQPYSIQZQFZ-UHFFFAOYSA-N
XLogP3.42
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
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

1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
4-cyano-N-decylbenzamide
CID 14179073
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
CID 12615241
[2-(butylamino)-1-(furan-2-yl)-2-oxoethyl] benzoate
CID 6710105
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 9201966
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-cyanophenyl)acetamide
CID 12968555
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide?
The IUPAC name of N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide (CID 58143446) is N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide?
The canonical SMILES for N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide is CCCCNC(=O)C(CC(=O)c1ccc(C#N)cc1)c1ccco1.
What is the InChIKey of N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide?
The InChIKey is DBKLQPYSIQZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-10-21-19(23)16(18-5-4-11-24-18)12-17(22)15-8-6-14(13-20)7-9-15/h4-9,11,16H,2-3,10,12H2,1H3,(H,21,23).
What are the key properties of N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide?
N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide has a molecular weight of 324.38 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-cyanophenyl)-2-(furan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 58143446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).