3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide

C18H22N2O3 — CID 974087

IUPAC3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H22N2O3/c1-3-13(4-2)18(22)20-15-8-5-7-14(11-15)17(21)19-12-16-9-6-10-23-16/h5-11,13H,3-4,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBPKBIZIKUJPWKX-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.58
Rot. Bonds7

About 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide

3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide (PubChem CID 974087) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide
PubChem CID974087
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C18H22N2O3/c1-3-13(4-2)18(22)20-15-8-5-7-14(11-15)17(21)19-12-16-9-6-10-23-16/h5-11,13H,3-4,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBPKBIZIKUJPWKX-UHFFFAOYSA-N
XLogP3.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide (CID 974087) is 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is BPKBIZIKUJPWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-13(4-2)18(22)20-15-8-5-7-14(11-15)17(21)19-12-16-9-6-10-23-16/h5-11,13H,3-4,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide?
3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 974087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).