N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide

C11H19N3O — CID 60516716

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide
SMILESCCN(C)CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-4-14(3)7-10(15)13-11(2,8-12)9-5-6-9/h9H,4-7H2,1-3H3,(H,13,15)
InChIKeyBMJRVHXAWGWXBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.75
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide (PubChem CID 60516716) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide
PubChem CID60516716
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide
SMILESCCN(C)CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-4-14(3)7-10(15)13-11(2,8-12)9-5-6-9/h9H,4-7H2,1-3H3,(H,13,15)
InChIKeyBMJRVHXAWGWXBK-UHFFFAOYSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 8160162
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8160605
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cycloheptyl(methyl)amino]acetamide
CID 36345258
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 39998240
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 40037164
N-(1-cyano-1,2-dimethylpropyl)-2-(piperidin-1-yl)acetamide
CID 45794551
N-(1-cyano-1-cyclopropylethyl)-2-[(3,3-dimethylbutan-2-yl)(methyl)amino]acetamide
CID 45810943
N-(1-cyano-1-cyclopropylethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 47006731
N-(1-cyano-1-cyclopropylethyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 47006735
N-(1-cyano-1-cyclopropylethyl)-2-[methyl(4-methylpentan-2-yl)amino]acetamide
CID 51077619
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 92326123
2-[but-2-ynyl(prop-2-ynyl)amino]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 97584545

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide (CID 60516716) is N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide is CCN(C)CC(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide?
The InChIKey is BMJRVHXAWGWXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14(3)7-10(15)13-11(2,8-12)9-5-6-9/h9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide has a molecular weight of 209.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[ethyl(methyl)amino]acetamide is sourced from PubChem (CID 60516716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).