3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide

C15H21NO3 — CID 110359284

IUPAC3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2(C)OCCO2)cc1C
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(10-12(11)2)14(17)16-7-6-15(3)18-8-9-19-15/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyDPYJYYHOLMXJPP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.19
Rot. Bonds4

About 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide

3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide (PubChem CID 110359284) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
PubChem CID110359284
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2(C)OCCO2)cc1C
InChIInChI=1S/C15H21NO3/c1-11-4-5-13(10-12(11)2)14(17)16-7-6-15(3)18-8-9-19-15/h4-5,10H,6-9H2,1-3H3,(H,16,17)
InChIKeyDPYJYYHOLMXJPP-UHFFFAOYSA-N
XLogP2.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357017
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 75522368
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108574747
N-hexyl-3,4-dimethylbenzamide
CID 4523484
2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
CID 110611916
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide (CID 110359284) is 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCC2(C)OCCO2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
The InChIKey is DPYJYYHOLMXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-5-13(10-12(11)2)14(17)16-7-6-15(3)18-8-9-19-15/h4-5,10H,6-9H2,1-3H3,(H,16,17).
What are the key properties of 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide?
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 110359284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).