3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide

C16H26N2O — CID 55091096

IUPAC3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cccc(CCN)c1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)18(5)15(19)14-8-6-7-13(11-14)9-10-17/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyMEORCFYQLMYGFE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds4

About 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide

3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide (PubChem CID 55091096) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
PubChem CID55091096
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cccc(CCN)c1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)18(5)15(19)14-8-6-7-13(11-14)9-10-17/h6-8,11-12H,9-10,17H2,1-5H3
InChIKeyMEORCFYQLMYGFE-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62592093
3-(2-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62593152
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819607
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
methyl 3-(2-aminoethyl)benzoate
CID 10511548
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 95872964
3-(2-aminoethyl)-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551523
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide (CID 55091096) is 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide is CC(N(C)C(=O)c1cccc(CCN)c1)C(C)(C)C.
What is the InChIKey of 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The InChIKey is MEORCFYQLMYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(16(2,3)4)18(5)15(19)14-8-6-7-13(11-14)9-10-17/h6-8,11-12H,9-10,17H2,1-5H3.
What are the key properties of 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 55091096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).