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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Related Compounds

2-phenoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 92761558
2-(3-acetylphenoxy)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758419
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
2-[3-[[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N-ethylacetamide
CID 111949809
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 99630158
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55621096
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
4-amino-3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzamide
CID 63356612
[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoethyl] 4-methylsulfinylbenzoate
CID 71938090
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750967
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502

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).