2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide

C15H22N2O3 — CID 107389450

IUPAC2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC1(C)OCC(CNC(=O)Cc2ccccc2CN)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)19-10-13(20-15)9-17-14(18)7-11-5-3-4-6-12(11)8-16/h3-6,13H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyLJJTWMNKYVILHZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.96
Rot. Bonds5

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

2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide (PubChem CID 107389450) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
PubChem CID107389450
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC1(C)OCC(CNC(=O)Cc2ccccc2CN)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)19-10-13(20-15)9-17-14(18)7-11-5-3-4-6-12(11)8-16/h3-6,13H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyLJJTWMNKYVILHZ-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 18583922
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3-phenylpropanamide
CID 18583799
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-3,4-dimethylbenzamide
CID 18583933
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)benzamide
CID 18583936
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 18583792
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-fluorobenzamide
CID 103762470
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 132455357
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 41412107
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 41412108
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 41412147
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 41412148
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-fluorobenzamide
CID 44758221

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide (CID 107389450) is 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide is CC1(C)OCC(CNC(=O)Cc2ccccc2CN)O1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
The InChIKey is LJJTWMNKYVILHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)19-10-13(20-15)9-17-14(18)7-11-5-3-4-6-12(11)8-16/h3-6,13H,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide is sourced from PubChem (CID 107389450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).