4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide

C19H23NO3 — CID 110297954

IUPAC4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23NO3/c1-19(2,3)15-8-6-14(7-9-15)17(21)10-11-18(22)20-13-16-5-4-12-23-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyBVPYTGUZIREEOS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.86
Rot. Bonds6

About 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide

4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide (PubChem CID 110297954) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
PubChem CID110297954
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESCC(C)(C)c1ccc(C(=O)CCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H23NO3/c1-19(2,3)15-8-6-14(7-9-15)17(21)10-11-18(22)20-13-16-5-4-12-23-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,22)
InChIKeyBVPYTGUZIREEOS-UHFFFAOYSA-N
XLogP3.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
CID 109018525
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
4-(4-tert-butylphenyl)-4-oxo-N-prop-2-enylbutanamide
CID 110297944

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide (CID 110297954) is 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide is CC(C)(C)c1ccc(C(=O)CCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The InChIKey is BVPYTGUZIREEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,3)15-8-6-14(7-9-15)17(21)10-11-18(22)20-13-16-5-4-12-23-16/h4-9,12H,10-11,13H2,1-3H3,(H,20,22).
What are the key properties of 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide has a molecular weight of 313.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 110297954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).