methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate

C19H21NO4 — CID 99840211

IUPACmethyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate
SMILESCOC(=O)CC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC1
InChIInChI=1S/C19H21NO4/c1-23-17(21)12-19(8-2-3-9-19)20-18(22)15-6-4-5-14(11-15)16-7-10-24-13-16/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,22)
InChIKeyYRLVGAQLZBRNSE-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.55
Rot. Bonds5

About methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate

methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate (PubChem CID 99840211) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate
PubChem CID99840211
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate
SMILESCOC(=O)CC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC1
InChIInChI=1S/C19H21NO4/c1-23-17(21)12-19(8-2-3-9-19)20-18(22)15-6-4-5-14(11-15)16-7-10-24-13-16/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,22)
InChIKeyYRLVGAQLZBRNSE-UHFFFAOYSA-N
XLogP3.55
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate (CID 99840211) is methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate is COC(=O)CC1(NC(=O)c2cccc(-c3ccoc3)c2)CCCC1.
What is the InChIKey of methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate?
The InChIKey is YRLVGAQLZBRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-17(21)12-19(8-2-3-9-19)20-18(22)15-6-4-5-14(11-15)16-7-10-24-13-16/h4-7,10-11,13H,2-3,8-9,12H2,1H3,(H,20,22).
What are the key properties of methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate?
methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate has a molecular weight of 327.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate is sourced from PubChem (CID 99840211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).