2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide

C10H18N4O2 — CID 115356626

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
SMILESCC(C)(C)NC(=O)CNCC(=O)NCC#N
InChIInChI=1S/C10H18N4O2/c1-10(2,3)14-9(16)7-12-6-8(15)13-5-4-11/h12H,5-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyICYHKIKJIOCQNK-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.87
Rot. Bonds5

About 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide (PubChem CID 115356626) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
PubChem CID115356626
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
SMILESCC(C)(C)NC(=O)CNCC(=O)NCC#N
InChIInChI=1S/C10H18N4O2/c1-10(2,3)14-9(16)7-12-6-8(15)13-5-4-11/h12H,5-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyICYHKIKJIOCQNK-UHFFFAOYSA-N
XLogP-0.87
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103260235
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 60918929
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920
S-[2-[[2-[[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl] ethanethioate
CID 155097086
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide (CID 115356626) is 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide is CC(C)(C)NC(=O)CNCC(=O)NCC#N.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide?
The InChIKey is ICYHKIKJIOCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2,3)14-9(16)7-12-6-8(15)13-5-4-11/h12H,5-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 115356626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).