4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide

C21H28N2O — CID 45001444

IUPAC4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-21(2,3)18-13-11-17(12-14-18)20(24)22-15-19(23(4)5)16-9-7-6-8-10-16/h6-14,19H,15H2,1-5H3,(H,22,24)
InChIKeyIMWLHBZSTNIYEH-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.02
Rot. Bonds5

About 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide

4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide (PubChem CID 45001444) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
PubChem CID45001444
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-21(2,3)18-13-11-17(12-14-18)20(24)22-15-19(23(4)5)16-9-7-6-8-10-16/h6-14,19H,15H2,1-5H3,(H,22,24)
InChIKeyIMWLHBZSTNIYEH-UHFFFAOYSA-N
XLogP4.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
CID 51153670
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide (CID 45001444) is 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide is CN(C)C(CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The InChIKey is IMWLHBZSTNIYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-21(2,3)18-13-11-17(12-14-18)20(24)22-15-19(23(4)5)16-9-7-6-8-10-16/h6-14,19H,15H2,1-5H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide has a molecular weight of 324.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 45001444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).