N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide

C15H15NO5 — CID 95982839

IUPACN-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO5/c1-15(18,8-16-14(17)12-3-2-6-19-12)10-4-5-11-13(7-10)21-9-20-11/h2-7,18H,8-9H2,1H3,(H,16,17)/t15-/m1/s1
InChIKeyTXJLVAFFGCIBNE-OAHLLOKOSA-N
MW289.29 g/mol
LogP1.65
Rot. Bonds4

About N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide

N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide (PubChem CID 95982839) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
PubChem CID95982839
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC NameN-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO5/c1-15(18,8-16-14(17)12-3-2-6-19-12)10-4-5-11-13(7-10)21-9-20-11/h2-7,18H,8-9H2,1H3,(H,16,17)/t15-/m1/s1
InChIKeyTXJLVAFFGCIBNE-OAHLLOKOSA-N
XLogP1.65
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[(2S)-1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 52514259
N-[1-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51128973
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-fluorobenzamide
CID 90497678
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 95982851
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 90497723
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 71781897
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99873747

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide (CID 95982839) is N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide is C[C@@](O)(CNC(=O)c1ccco1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide?
The InChIKey is TXJLVAFFGCIBNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15NO5/c1-15(18,8-16-14(17)12-3-2-6-19-12)10-4-5-11-13(7-10)21-9-20-11/h2-7,18H,8-9H2,1H3,(H,16,17)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide?
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide is sourced from PubChem (CID 95982839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).