methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate

C16H17NO5 — CID 97106259

IUPACmethyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccoc2)cc1
InChIInChI=1S/C16H17NO5/c1-21-16(20)12-4-2-11(3-5-12)15(19)17-8-6-14(18)13-7-9-22-10-13/h2-5,7,9-10,14,18H,6,8H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyVOPTXYJCPLIELC-CQSZACIVSA-N
MW303.31 g/mol
LogP1.92
Rot. Bonds6

About methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate

methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate (PubChem CID 97106259) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
PubChem CID97106259
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccoc2)cc1
InChIInChI=1S/C16H17NO5/c1-21-16(20)12-4-2-11(3-5-12)15(19)17-8-6-14(18)13-7-9-22-10-13/h2-5,7,9-10,14,18H,6,8H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyVOPTXYJCPLIELC-CQSZACIVSA-N
XLogP1.92
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
3,4-difluoro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106229
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
3-bromo-N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 97106275
N-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(2-methylpropyl)oxamide
CID 121132914
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
N-[3-(furan-3-yl)-3-hydroxypropyl]-3-(trifluoromethyl)benzamide
CID 71804427
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate (CID 97106259) is methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccoc2)cc1.
What is the InChIKey of methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate?
The InChIKey is VOPTXYJCPLIELC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-16(20)12-4-2-11(3-5-12)15(19)17-8-6-14(18)13-7-9-22-10-13/h2-5,7,9-10,14,18H,6,8H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate?
methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate has a molecular weight of 303.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3R)-3-(furan-3-yl)-3-hydroxypropyl]carbamoyl]benzoate is sourced from PubChem (CID 97106259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).