N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide

C16H20N2O2 — CID 43725755

IUPACN-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(C)c2ccco2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)16(19)18-14-7-4-6-13(10-14)17-12(3)15-8-5-9-20-15/h4-12,17H,1-3H3,(H,18,19)
InChIKeyMQDZVUYPMNNXSS-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.05
Rot. Bonds5

About N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide

N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide (PubChem CID 43725755) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
PubChem CID43725755
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(C)c2ccco2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)16(19)18-14-7-4-6-13(10-14)17-12(3)15-8-5-9-20-15/h4-12,17H,1-3H3,(H,18,19)
InChIKeyMQDZVUYPMNNXSS-UHFFFAOYSA-N
XLogP4.05
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
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N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
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N-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]phenyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide (CID 43725755) is N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(C)c2ccco2)c1.
What is the InChIKey of N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide?
The InChIKey is MQDZVUYPMNNXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)16(19)18-14-7-4-6-13(10-14)17-12(3)15-8-5-9-20-15/h4-12,17H,1-3H3,(H,18,19).
What are the key properties of N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide?
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 43725755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).