2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide

C11H17N3O2 — CID 114291149

IUPAC2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-3-11(2,7-12)10(16)13-6-9(15)14-8-4-5-8/h8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGWIJHYQFBYGLND-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.32
Rot. Bonds5

About 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide

2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide (PubChem CID 114291149) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
PubChem CID114291149
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
SMILESCCC(C)(C#N)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-3-11(2,7-12)10(16)13-6-9(15)14-8-4-5-8/h8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGWIJHYQFBYGLND-UHFFFAOYSA-N
XLogP0.32
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
CID 65264740
2-amino-2-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 60866101
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
(2R)-2-cyano-N-(cycloheptylmethyl)-2-methylbutanamide
CID 164637874
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
2-cyano-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 114291661
2-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylbutanamide
CID 114290964
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
2-cyano-N-hydroxy-2-methylbutanamide
CID 127007084
2-cyano-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide
CID 113270371
2-cyano-N-(2,2-diethyloxan-4-yl)-2-methylbutanamide
CID 83029367
2-cyano-2-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296190

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide (CID 114291149) is 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide is CCC(C)(C#N)C(=O)NCC(=O)NC1CC1.
What is the InChIKey of 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide?
The InChIKey is GWIJHYQFBYGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-11(2,7-12)10(16)13-6-9(15)14-8-4-5-8/h8H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide?
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 114291149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).