N-(1,3-dioxolan-4-ylmethyl)benzamide

C11H13NO3 — CID 69336579

IUPACN-(1,3-dioxolan-4-ylmethyl)benzamide
SMILESO=C(NCC1COCO1)c1ccccc1
InChIInChI=1S/C11H13NO3/c13-11(9-4-2-1-3-5-9)12-6-10-7-14-8-15-10/h1-5,10H,6-8H2,(H,12,13)
InChIKeyNBCZZLUBQJXLMV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.79
Rot. Bonds3

About N-(1,3-dioxolan-4-ylmethyl)benzamide

N-(1,3-dioxolan-4-ylmethyl)benzamide (PubChem CID 69336579) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(1,3-dioxolan-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-4-ylmethyl)benzamide
PubChem CID69336579
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(1,3-dioxolan-4-ylmethyl)benzamide
SMILESO=C(NCC1COCO1)c1ccccc1
InChIInChI=1S/C11H13NO3/c13-11(9-4-2-1-3-5-9)12-6-10-7-14-8-15-10/h1-5,10H,6-8H2,(H,12,13)
InChIKeyNBCZZLUBQJXLMV-UHFFFAOYSA-N
XLogP0.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
CID 144993930
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 2945038
4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
CID 119295756
N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 102548684
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-4-ylmethyl)benzamide?
The IUPAC name of N-(1,3-dioxolan-4-ylmethyl)benzamide (CID 69336579) is N-(1,3-dioxolan-4-ylmethyl)benzamide.
What is the SMILES notation for N-(1,3-dioxolan-4-ylmethyl)benzamide?
The canonical SMILES for N-(1,3-dioxolan-4-ylmethyl)benzamide is O=C(NCC1COCO1)c1ccccc1.
What is the InChIKey of N-(1,3-dioxolan-4-ylmethyl)benzamide?
The InChIKey is NBCZZLUBQJXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(9-4-2-1-3-5-9)12-6-10-7-14-8-15-10/h1-5,10H,6-8H2,(H,12,13).
What are the key properties of N-(1,3-dioxolan-4-ylmethyl)benzamide?
N-(1,3-dioxolan-4-ylmethyl)benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-4-ylmethyl)benzamide is sourced from PubChem (CID 69336579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).