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

C14H19NO4 — CID 113257087

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C14H19NO4/c1-14(2)18-9-12(19-14)8-15-13(16)10-4-6-11(17-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyXYHKZMCGBVSZJB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.58
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide (PubChem CID 113257087) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
PubChem CID113257087
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C14H19NO4/c1-14(2)18-9-12(19-14)8-15-13(16)10-4-6-11(17-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyXYHKZMCGBVSZJB-UHFFFAOYSA-N
XLogP1.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-3-carboxamide
CID 103800512
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103800446
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-4-ethoxybenzamide
CID 18583934
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
N-[[(2S)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-hydroxypropyl]carbamothioyl]-4-methoxybenzamide
CID 7360290
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-ethoxybenzamide
CID 18583806
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-nitrobenzamide
CID 107389093
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 107389175
4-butoxy-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]benzamide
CID 41412206
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide (CID 113257087) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2COC(C)(C)O2)cc1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide?
The InChIKey is XYHKZMCGBVSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2)18-9-12(19-14)8-15-13(16)10-4-6-11(17-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 113257087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).