N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide

C15H14N2O2 — CID 729147

IUPACN-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(C#N)cc2)o1
InChIInChI=1S/C15H14N2O2/c1-11-2-7-14(19-11)8-9-15(18)17-13-5-3-12(10-16)4-6-13/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyFVKHGFOIJYGNQO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.03
Rot. Bonds4

About N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide

N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 729147) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID729147
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(C#N)cc2)o1
InChIInChI=1S/C15H14N2O2/c1-11-2-7-14(19-11)8-9-15(18)17-13-5-3-12(10-16)4-6-13/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeyFVKHGFOIJYGNQO-UHFFFAOYSA-N
XLogP3.03
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide (CID 729147) is N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(C#N)cc2)o1.
What is the InChIKey of N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is FVKHGFOIJYGNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-2-7-14(19-11)8-9-15(18)17-13-5-3-12(10-16)4-6-13/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 729147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).