N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide

C12H21N3O — CID 47008907

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-4-15(5-2)8-11(16)14-12(3,9-13)10-6-7-10/h10H,4-8H2,1-3H3,(H,14,16)
InChIKeyJJGQFOOLZUXTAC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds6

About N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide

N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide (PubChem CID 47008907) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide
PubChem CID47008907
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-4-15(5-2)8-11(16)14-12(3,9-13)10-6-7-10/h10H,4-8H2,1-3H3,(H,14,16)
InChIKeyJJGQFOOLZUXTAC-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide (CID 47008907) is N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide?
The InChIKey is JJGQFOOLZUXTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15(5-2)8-11(16)14-12(3,9-13)10-6-7-10/h10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(diethylamino)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 6 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-(diethylamino)acetamide is sourced from PubChem (CID 47008907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).