3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide

C18H18N2O4 — CID 95275437

IUPAC3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)N[C@H]2CCc3c(O)cccc32)c1
InChIInChI=1S/C18H18N2O4/c19-18(23)11-3-1-4-12(9-11)24-10-17(22)20-15-8-7-14-13(15)5-2-6-16(14)21/h1-6,9,15,21H,7-8,10H2,(H2,19,23)(H,20,22)/t15-/m0/s1
InChIKeyOVKQIOXQNGXBLK-HNNXBMFYSA-N
MW326.35 g/mol
LogP1.67
Rot. Bonds5

About 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide

3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 95275437) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide
PubChem CID95275437
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide
SMILESNC(=O)c1cccc(OCC(=O)N[C@H]2CCc3c(O)cccc32)c1
InChIInChI=1S/C18H18N2O4/c19-18(23)11-3-1-4-12(9-11)24-10-17(22)20-15-8-7-14-13(15)5-2-6-16(14)21/h1-6,9,15,21H,7-8,10H2,(H2,19,23)(H,20,22)/t15-/m0/s1
InChIKeyOVKQIOXQNGXBLK-HNNXBMFYSA-N
XLogP1.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide (CID 95275437) is 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide is NC(=O)c1cccc(OCC(=O)N[C@H]2CCc3c(O)cccc32)c1.
What is the InChIKey of 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is OVKQIOXQNGXBLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O4/c19-18(23)11-3-1-4-12(9-11)24-10-17(22)20-15-8-7-14-13(15)5-2-6-16(14)21/h1-6,9,15,21H,7-8,10H2,(H2,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide?
3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 326.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 95275437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).