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

C14H20N2O3 — CID 107390214

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H20N2O3/c1-14(2)18-9-10(19-14)8-16-13(17)11-6-4-5-7-12(11)15-3/h4-7,10,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyQSPPGMDWDUVXAB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide (PubChem CID 107390214) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
PubChem CID107390214
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H20N2O3/c1-14(2)18-9-10(19-14)8-16-13(17)11-6-4-5-7-12(11)15-3/h4-7,10,15H,8-9H2,1-3H3,(H,16,17)
InChIKeyQSPPGMDWDUVXAB-UHFFFAOYSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
CID 103800511
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113264583
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 107389450
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide (CID 107390214) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide?
The InChIKey is QSPPGMDWDUVXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)18-9-10(19-14)8-16-13(17)11-6-4-5-7-12(11)15-3/h4-7,10,15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 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]-2-(methylamino)benzamide is sourced from PubChem (CID 107390214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).