2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide

C16H24N2O2 — CID 83028620

IUPAC2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2ccccc2CN)CCO1
InChIInChI=1S/C16H24N2O2/c1-16(2)10-14(7-8-20-16)18-15(19)9-12-5-3-4-6-13(12)11-17/h3-6,14H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyBKCBFDSOZBYTGB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide (PubChem CID 83028620) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
PubChem CID83028620
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cc2ccccc2CN)CCO1
InChIInChI=1S/C16H24N2O2/c1-16(2)10-14(7-8-20-16)18-15(19)9-12-5-3-4-6-13(12)11-17/h3-6,14H,7-11,17H2,1-2H3,(H,18,19)
InChIKeyBKCBFDSOZBYTGB-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033529
N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 136517618
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 96544646
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
N-[(4R)-2,2-dimethyloxan-4-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52902429
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-3-methylbutanamide
CID 83033230
2-[2-(aminomethyl)phenyl]-N-(4-ethylcyclohexyl)acetamide
CID 81321943
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
CID 83034494
3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
CID 83034462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide (CID 83028620) is 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide is CC1(C)CC(NC(=O)Cc2ccccc2CN)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
The InChIKey is BKCBFDSOZBYTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)10-14(7-8-20-16)18-15(19)9-12-5-3-4-6-13(12)11-17/h3-6,14H,7-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide is sourced from PubChem (CID 83028620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).