N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide

C12H15NO3 — CID 14952151

IUPACN-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(10-4-2-1-3-5-10)13-7-6-11-15-8-9-16-11/h1-5,11H,6-9H2,(H,13,14)
InChIKeyMBRJBNLICQFZLU-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.18
Rot. Bonds4

About N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide

N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide (PubChem CID 14952151) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
PubChem CID14952151
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(10-4-2-1-3-5-10)13-7-6-11-15-8-9-16-11/h1-5,11H,6-9H2,(H,13,14)
InChIKeyMBRJBNLICQFZLU-UHFFFAOYSA-N
XLogP1.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
CID 110369952
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(5-oxa-7-azatricyclo[7.3.0.02,6]dodeca-1,6,8-trien-12-yl)ethyl]benzamide
CID 59179395
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
CID 110370070
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide (CID 14952151) is N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide is O=C(NCCC1OCCO1)c1ccccc1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
The InChIKey is MBRJBNLICQFZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(10-4-2-1-3-5-10)13-7-6-11-15-8-9-16-11/h1-5,11H,6-9H2,(H,13,14).
What are the key properties of N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide?
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 14952151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).