4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide

C20H28N2O2 — CID 26834395

IUPAC4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N(C)C)o1
InChIInChI=1S/C20H28N2O2/c1-14-7-12-18(24-14)17(22(5)6)13-21-19(23)15-8-10-16(11-9-15)20(2,3)4/h7-12,17H,13H2,1-6H3,(H,21,23)/t17-/m1/s1
InChIKeyTUCZBQPHIUXGNH-QGZVFWFLSA-N
MW328.46 g/mol
LogP3.92
Rot. Bonds5

About 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide

4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 26834395) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID26834395
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N(C)C)o1
InChIInChI=1S/C20H28N2O2/c1-14-7-12-18(24-14)17(22(5)6)13-21-19(23)15-8-10-16(11-9-15)20(2,3)4/h7-12,17H,13H2,1-6H3,(H,21,23)/t17-/m1/s1
InChIKeyTUCZBQPHIUXGNH-QGZVFWFLSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-3-methylbenzamide
CID 26834391
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
3-chloro-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-methoxybenzamide
CID 26834913
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 50968447

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide (CID 26834395) is 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N(C)C)o1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is TUCZBQPHIUXGNH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-7-12-18(24-14)17(22(5)6)13-21-19(23)15-8-10-16(11-9-15)20(2,3)4/h7-12,17H,13H2,1-6H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide?
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 26834395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).