2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide

C17H27N3O2 — CID 46614817

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)18-15(21)11-20(5)12-16(22)19-17(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyGBXNPNJVOQVEOU-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.03
Rot. Bonds6

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide (PubChem CID 46614817) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
PubChem CID46614817
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)18-15(21)11-20(5)12-16(22)19-17(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyGBXNPNJVOQVEOU-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 8816582
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930
N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
CID 112842313
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8766646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide (CID 46614817) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide?
The InChIKey is GBXNPNJVOQVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-13-7-9-14(10-8-13)18-15(21)11-20(5)12-16(22)19-17(2,3)4/h7-10H,6,11-12H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 46614817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).