N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide

C16H22N2O2 — CID 43778207

IUPACN-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1oc2ccccc2c1C
InChIInChI=1S/C16H22N2O2/c1-5-17-16(19)12(4)18-11(3)15-10(2)13-8-6-7-9-14(13)20-15/h6-9,11-12,18H,5H2,1-4H3,(H,17,19)
InChIKeyIWYAPEWMJWFEFA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.92
Rot. Bonds5

About N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide

N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide (PubChem CID 43778207) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
PubChem CID43778207
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
SMILESCCNC(=O)C(C)NC(C)c1oc2ccccc2c1C
InChIInChI=1S/C16H22N2O2/c1-5-17-16(19)12(4)18-11(3)15-10(2)13-8-6-7-9-14(13)20-15/h6-9,11-12,18H,5H2,1-4H3,(H,17,19)
InChIKeyIWYAPEWMJWFEFA-UHFFFAOYSA-N
XLogP2.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
The IUPAC name of N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide (CID 43778207) is N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide is CCNC(=O)C(C)NC(C)c1oc2ccccc2c1C.
What is the InChIKey of N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
The InChIKey is IWYAPEWMJWFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-17-16(19)12(4)18-11(3)15-10(2)13-8-6-7-9-14(13)20-15/h6-9,11-12,18H,5H2,1-4H3,(H,17,19).
What are the key properties of N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide?
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide is sourced from PubChem (CID 43778207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).