N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide

C17H19NO5 — CID 95982851

IUPACN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)c(C)o1
InChIInChI=1S/C17H19NO5/c1-10-6-13(11(2)23-10)16(19)18-8-17(3,20)12-4-5-14-15(7-12)22-9-21-14/h4-7,20H,8-9H2,1-3H3,(H,18,19)/t17-/m0/s1
InChIKeyMBVXEFRUXHOKIW-KRWDZBQOSA-N
MW317.34 g/mol
LogP2.26
Rot. Bonds4

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

N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 95982851) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID95982851
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)c(C)o1
InChIInChI=1S/C17H19NO5/c1-10-6-13(11(2)23-10)16(19)18-8-17(3,20)12-4-5-14-15(7-12)22-9-21-14/h4-7,20H,8-9H2,1-3H3,(H,18,19)/t17-/m0/s1
InChIKeyMBVXEFRUXHOKIW-KRWDZBQOSA-N
XLogP2.26
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
CID 95982841
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 71781805
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-fluorobenzamide
CID 90497678
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 71781872
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95982839
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 90497723
N-[2-[(2-hydroxy-2-phenylpropyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 111335106
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781935
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 71781897

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide (CID 95982851) is N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC[C@](C)(O)c2ccc3c(c2)OCO3)c(C)o1.
What is the InChIKey of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is MBVXEFRUXHOKIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10-6-13(11(2)23-10)16(19)18-8-17(3,20)12-4-5-14-15(7-12)22-9-21-14/h4-7,20H,8-9H2,1-3H3,(H,18,19)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide?
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 95982851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).