2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide

C13H19N3O2 — CID 79805676

IUPAC2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C13H19N3O2/c1-3-13(2,15)12(17)16(8-5-7-14)10-11-6-4-9-18-11/h4,6,9H,3,5,8,10,15H2,1-2H3
InChIKeyQDQCXRRNHABOJS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.65
Rot. Bonds6

About 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide (PubChem CID 79805676) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
PubChem CID79805676
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C13H19N3O2/c1-3-13(2,15)12(17)16(8-5-7-14)10-11-6-4-9-18-11/h4,6,9H,3,5,8,10,15H2,1-2H3
InChIKeyQDQCXRRNHABOJS-UHFFFAOYSA-N
XLogP1.65
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
4-tert-butyl-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60519774
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
2-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 60947093
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide (CID 79805676) is 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide is CCC(C)(N)C(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide?
The InChIKey is QDQCXRRNHABOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-13(2,15)12(17)16(8-5-7-14)10-11-6-4-9-18-11/h4,6,9H,3,5,8,10,15H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide?
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide is sourced from PubChem (CID 79805676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).