3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

C11H20N4O2 — CID 114167383

IUPAC3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)NCCC#N
InChIInChI=1S/C11H20N4O2/c1-11(2,10(17)13-3)8-14-7-9(16)15-6-4-5-12/h14H,4,6-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyBAJZGTBWJJPLIM-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.62
Rot. Bonds7

About 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 114167383) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
PubChem CID114167383
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)NCCC#N
InChIInChI=1S/C11H20N4O2/c1-11(2,10(17)13-3)8-14-7-9(16)15-6-4-5-12/h14H,4,6-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyBAJZGTBWJJPLIM-UHFFFAOYSA-N
XLogP-0.62
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
CID 66185310
N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572608
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523
N-(2-cyanoethyl)-2-(4-methoxybutylamino)acetamide
CID 60975251
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093
2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61219041
N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 104577956
3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
CID 102672659
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277417
N-(2-cyanoethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62640317

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (CID 114167383) is 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(=O)NCCC#N.
What is the InChIKey of 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is BAJZGTBWJJPLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,10(17)13-3)8-14-7-9(16)15-6-4-5-12/h14H,4,6-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 240.31 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 114167383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).