3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide

C18H18N2O4 — CID 94648224

IUPAC3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NC[C@@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C18H18N2O4/c19-18(22)13-5-3-6-14(9-13)23-11-17(21)20-10-15-8-12-4-1-2-7-16(12)24-15/h1-7,9,15H,8,10-11H2,(H2,19,22)(H,20,21)/t15-/m0/s1
InChIKeyUXTAVWXDVGAXIG-HNNXBMFYSA-N
MW326.35 g/mol
LogP1.28
Rot. Bonds6

About 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide

3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide (PubChem CID 94648224) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide
PubChem CID94648224
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)NC[C@@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C18H18N2O4/c19-18(22)13-5-3-6-14(9-13)23-11-17(21)20-10-15-8-12-4-1-2-7-16(12)24-15/h1-7,9,15H,8,10-11H2,(H2,19,22)(H,20,21)/t15-/m0/s1
InChIKeyUXTAVWXDVGAXIG-HNNXBMFYSA-N
XLogP1.28
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide (CID 94648224) is 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)NC[C@@H]2Cc3ccccc3O2)c1.
What is the InChIKey of 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide?
The InChIKey is UXTAVWXDVGAXIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O4/c19-18(22)13-5-3-6-14(9-13)23-11-17(21)20-10-15-8-12-4-1-2-7-16(12)24-15/h1-7,9,15H,8,10-11H2,(H2,19,22)(H,20,21)/t15-/m0/s1.
What are the key properties of 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide?
3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide has a molecular weight of 326.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 94648224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).