2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide

C17H24N4O2 — CID 8796170

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-14-8-6-7-13(9-14)10-18/h6-9H,5,11-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeySZPQTSOKACKYKC-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.73
Rot. Bonds6

About 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide (PubChem CID 8796170) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide
PubChem CID8796170
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-14-8-6-7-13(9-14)10-18/h6-9H,5,11-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeySZPQTSOKACKYKC-UHFFFAOYSA-N
XLogP1.73
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 8756761
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
N-tert-butyl-2-[(4-cyano-2-fluorophenyl)methyl-ethylamino]acetamide
CID 36797986
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide (CID 8796170) is 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide is CCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide?
The InChIKey is SZPQTSOKACKYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-14-8-6-7-13(9-14)10-18/h6-9H,5,11-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 8796170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).