2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide

C11H21N3O — CID 62645665

IUPAC2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
SMILESCCC(C)NCC(=O)NC(CC)CC#N
InChIInChI=1S/C11H21N3O/c1-4-9(3)13-8-11(15)14-10(5-2)6-7-12/h9-10,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyAKJKHUPNIYYZLU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.18
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide

2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide (PubChem CID 62645665) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
PubChem CID62645665
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
SMILESCCC(C)NCC(=O)NC(CC)CC#N
InChIInChI=1S/C11H21N3O/c1-4-9(3)13-8-11(15)14-10(5-2)6-7-12/h9-10,13H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyAKJKHUPNIYYZLU-UHFFFAOYSA-N
XLogP1.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-cyanoacetamide
CID 79194895
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
2-amino-N-(1-cyanobutan-2-yl)propanamide
CID 62647087
N-(1-cyanobutan-2-yl)-5-hydroxypentanamide
CID 79198918
N-(1-cyanobutan-2-yl)-2-cyclopropylacetamide
CID 62645637
2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
2-(1-cyanopropan-2-ylamino)-N-propylacetamide
CID 60913977
1-(1-cyanobutan-2-yl)-3-ethylurea
CID 62647071
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
N-(1-cyanobutan-2-yl)-2-(2-methylphenyl)acetamide
CID 62645818
N-(1-cyanobutan-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 22075936
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide (CID 62645665) is 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide is CCC(C)NCC(=O)NC(CC)CC#N.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide?
The InChIKey is AKJKHUPNIYYZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-9(3)13-8-11(15)14-10(5-2)6-7-12/h9-10,13H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide?
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide is sourced from PubChem (CID 62645665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).