3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide

C18H22N2O — CID 21352681

IUPAC3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccccc2C(C)(C)N)c1
InChIInChI=1S/C18H22N2O/c1-18(2,19)16-11-6-5-10-15(16)13-8-7-9-14(12-13)17(21)20(3)4/h5-12H,19H2,1-4H3
InChIKeyUIDUDUGCGWEDMY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds3

About 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide

3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide (PubChem CID 21352681) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide
PubChem CID21352681
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccccc2C(C)(C)N)c1
InChIInChI=1S/C18H22N2O/c1-18(2,19)16-11-6-5-10-15(16)13-8-7-9-14(12-13)17(21)20(3)4/h5-12H,19H2,1-4H3
InChIKeyUIDUDUGCGWEDMY-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide (CID 21352681) is 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccccc2C(C)(C)N)c1.
What is the InChIKey of 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is UIDUDUGCGWEDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,19)16-11-6-5-10-15(16)13-8-7-9-14(12-13)17(21)20(3)4/h5-12H,19H2,1-4H3.
What are the key properties of 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide?
3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropan-2-yl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 21352681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).