2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide

C21H36N2O — CID 18289341

IUPAC2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C21H36N2O/c1-9-21(7,8)23-18(24)14-22-19(15(2)3)16-10-12-17(13-11-16)20(4,5)6/h10-13,15,19,22H,9,14H2,1-8H3,(H,23,24)
InChIKeyRGZRHEKQNQXURT-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.58
Rot. Bonds7

About 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide

2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 18289341) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID18289341
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(c1ccc(C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C21H36N2O/c1-9-21(7,8)23-18(24)14-22-19(15(2)3)16-10-12-17(13-11-16)20(4,5)6/h10-13,15,19,22H,9,14H2,1-8H3,(H,23,24)
InChIKeyRGZRHEKQNQXURT-UHFFFAOYSA-N
XLogP4.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 9129547
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 18089009
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 9129529
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 81371630
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
N-(5-acetamido-2-methoxyphenyl)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetamide
CID 9129845
N-(2-methylbutan-2-yl)-2-[1-(2-methylphenyl)ethylamino]acetamide
CID 60674187
N-(2-methylbutan-2-yl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]acetamide
CID 81409137
N-(2-methylbutan-2-yl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61486133
4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
CID 18124565

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide (CID 18289341) is 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNC(c1ccc(C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RGZRHEKQNQXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-9-21(7,8)23-18(24)14-22-19(15(2)3)16-10-12-17(13-11-16)20(4,5)6/h10-13,15,19,22H,9,14H2,1-8H3,(H,23,24).
What are the key properties of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide?
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 332.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 18289341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).