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

C17H17NO4 — CID 95982841

IUPACN-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-17(20,10-18-16(19)12-5-3-2-4-6-12)13-7-8-14-15(9-13)22-11-21-14/h2-9,20H,10-11H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeySLRXQAFSCKCDCP-QGZVFWFLSA-N
MW299.33 g/mol
LogP2.05
Rot. Bonds4

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

N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide (PubChem CID 95982841) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
PubChem CID95982841
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-17(20,10-18-16(19)12-5-3-2-4-6-12)13-7-8-14-15(9-13)22-11-21-14/h2-9,20H,10-11H2,1H3,(H,18,19)/t17-/m1/s1
InChIKeySLRXQAFSCKCDCP-QGZVFWFLSA-N
XLogP2.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-4-tert-butylbenzamide
CID 90497716
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-fluorobenzamide
CID 90497678
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 90497723
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71781885
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]-2-naphthalen-1-ylacetamide
CID 71781897
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 95982851
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]carbamoyl]benzoic acid
CID 119183117
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99873747
3-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172397

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide?
The IUPAC name of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide (CID 95982841) is N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide?
The canonical SMILES for N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide is C[C@@](O)(CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide?
The InChIKey is SLRXQAFSCKCDCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO4/c1-17(20,10-18-16(19)12-5-3-2-4-6-12)13-7-8-14-15(9-13)22-11-21-14/h2-9,20H,10-11H2,1H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide?
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 95982841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).