N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C18H24N2O3 — CID 18110256

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCCNC(=O)CNC(=O)Cc1coc2cc(C)c(C(C)C)cc12
InChIInChI=1S/C18H24N2O3/c1-5-19-18(22)9-20-17(21)7-13-10-23-16-6-12(4)14(11(2)3)8-15(13)16/h6,8,10-11H,5,7,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyKZKFCUAPVBQZQI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 18110256) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID18110256
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCCNC(=O)CNC(=O)Cc1coc2cc(C)c(C(C)C)cc12
InChIInChI=1S/C18H24N2O3/c1-5-19-18(22)9-20-17(21)7-13-10-23-16-6-12(4)14(11(2)3)8-15(13)16/h6,8,10-11H,5,7,9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyKZKFCUAPVBQZQI-UHFFFAOYSA-N
XLogP2.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 18110256) is N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is CCNC(=O)CNC(=O)Cc1coc2cc(C)c(C(C)C)cc12.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is KZKFCUAPVBQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-19-18(22)9-20-17(21)7-13-10-23-16-6-12(4)14(11(2)3)8-15(13)16/h6,8,10-11H,5,7,9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18110256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).