2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide

C16H24N2O2 — CID 83033529

IUPAC2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccccc2CCN)CCO1
InChIInChI=1S/C16H24N2O2/c1-16(2)11-13(8-10-20-16)18-15(19)14-6-4-3-5-12(14)7-9-17/h3-6,13H,7-11,17H2,1-2H3,(H,18,19)
InChIKeySGYBWRAJCJIHQQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds4

About 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide

2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide (PubChem CID 83033529) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
PubChem CID83033529
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccccc2CCN)CCO1
InChIInChI=1S/C16H24N2O2/c1-16(2)11-13(8-10-20-16)18-15(19)14-6-4-3-5-12(14)7-9-17/h3-6,13H,7-11,17H2,1-2H3,(H,18,19)
InChIKeySGYBWRAJCJIHQQ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
CID 83034494
N-[(4R)-2,2-dimethyloxan-4-yl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 96544276
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
2-[[2-(2-aminoethyl)benzoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763944
2-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-3-nitrobenzamide
CID 124595499
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide (CID 83033529) is 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccccc2CCN)CCO1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide?
The InChIKey is SGYBWRAJCJIHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)11-13(8-10-20-16)18-15(19)14-6-4-3-5-12(14)7-9-17/h3-6,13H,7-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide?
2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide is sourced from PubChem (CID 83033529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).