2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide

C12H21N3O — CID 61040136

IUPAC2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
SMILESCCC(C)NCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-3-10(2)14-9-12(16)15(8-4-7-13)11-5-6-11/h10-11,14H,3-6,8-9H2,1-2H3
InChIKeyQCVBDVKDZJJYNF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide

2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide (PubChem CID 61040136) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
PubChem CID61040136
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
SMILESCCC(C)NCC(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-3-10(2)14-9-12(16)15(8-4-7-13)11-5-6-11/h10-11,14H,3-6,8-9H2,1-2H3
InChIKeyQCVBDVKDZJJYNF-UHFFFAOYSA-N
XLogP1.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide (CID 61040136) is 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide is CCC(C)NCC(=O)N(CCC#N)C1CC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide?
The InChIKey is QCVBDVKDZJJYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10(2)14-9-12(16)15(8-4-7-13)11-5-6-11/h10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide?
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide is sourced from PubChem (CID 61040136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).