N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide

C12H21N3O2 — CID 4590181

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCOCC1
InChIInChI=1S/C12H21N3O2/c1-10(2)12(3,9-13)14-11(16)8-15-4-6-17-7-5-15/h10H,4-8H2,1-3H3,(H,14,16)
InChIKeyMPGUMWPBEUXVBU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.37
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide

N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 4590181) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide
PubChem CID4590181
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCOCC1
InChIInChI=1S/C12H21N3O2/c1-10(2)12(3,9-13)14-11(16)8-15-4-6-17-7-5-15/h10H,4-8H2,1-3H3,(H,14,16)
InChIKeyMPGUMWPBEUXVBU-UHFFFAOYSA-N
XLogP0.37
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide (CID 4590181) is N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide is CC(C)C(C)(C#N)NC(=O)CN1CCOCC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is MPGUMWPBEUXVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)12(3,9-13)14-11(16)8-15-4-6-17-7-5-15/h10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 4590181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).