2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide

C12H16N4O3 — CID 54874146

IUPAC2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CNC(=O)CN
InChIInChI=1S/C12H16N4O3/c13-4-2-5-16(9-10-3-1-6-19-10)12(18)8-15-11(17)7-14/h1,3,6H,2,5,7-9,14H2,(H,15,17)
InChIKeyDFMQWLCYJVILLT-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.40
Rot. Bonds7

About 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide (PubChem CID 54874146) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
PubChem CID54874146
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
SMILESN#CCCN(Cc1ccco1)C(=O)CNC(=O)CN
InChIInChI=1S/C12H16N4O3/c13-4-2-5-16(9-10-3-1-6-19-10)12(18)8-15-11(17)7-14/h1,3,6H,2,5,7-9,14H2,(H,15,17)
InChIKeyDFMQWLCYJVILLT-UHFFFAOYSA-N
XLogP-0.40
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
3-chloro-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 112771690
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 106853587
3,5-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 103908367

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide (CID 54874146) is 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide is N#CCCN(Cc1ccco1)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is DFMQWLCYJVILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-4-2-5-16(9-10-3-1-6-19-10)12(18)8-15-11(17)7-14/h1,3,6H,2,5,7-9,14H2,(H,15,17).
What are the key properties of 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54874146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).