2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide

C9H16N4O2 — CID 61219041

IUPAC2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
SMILESCC(C)(NCC(=O)NCCC#N)C(N)=O
InChIInChI=1S/C9H16N4O2/c1-9(2,8(11)15)13-6-7(14)12-5-3-4-10/h13H,3,5-6H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyQOMFNDOIPASMOR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.13
Rot. Bonds6

About 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide

2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide (PubChem CID 61219041) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
PubChem CID61219041
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide
SMILESCC(C)(NCC(=O)NCCC#N)C(N)=O
InChIInChI=1S/C9H16N4O2/c1-9(2,8(11)15)13-6-7(14)12-5-3-4-10/h13H,3,5-6H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyQOMFNDOIPASMOR-UHFFFAOYSA-N
XLogP-1.13
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.13
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-cyclopropylpropan-2-ylamino)acetamide
CID 104577956
N-(2-cyanoethyl)-2-[(2,3-dihydroxy-2-methylpropyl)amino]acetamide
CID 66185310
3-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 114167383
N-(2-cyanoethyl)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 28572608
5-(2-cyanoethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933016
N-(2-cyanoethyl)butanamide
CID 14899794
2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
CID 61220573
N-(2-cyanoethyl)-2-methoxyacetamide
CID 60668880
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61220192
N-(2-cyanoethyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 114164681
2-[tert-butyl-[2-(2-cyanoethylamino)-2-oxoethyl]amino]acetic acid
CID 79269459
2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 81229467

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide?
The IUPAC name of 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide (CID 61219041) is 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide.
What is the SMILES notation for 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide?
The canonical SMILES for 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide is CC(C)(NCC(=O)NCCC#N)C(N)=O.
What is the InChIKey of 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide?
The InChIKey is QOMFNDOIPASMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,8(11)15)13-6-7(14)12-5-3-4-10/h13H,3,5-6H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide?
2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide has a molecular weight of 212.25 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanoethylamino)-2-oxoethyl]amino]-2-methylpropanamide is sourced from PubChem (CID 61219041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).