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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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).