4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide

C12H17N3O2 — CID 54874085

IUPAC4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
SMILESN#CCCN(Cc1ccco1)C(=O)CCCN
InChIInChI=1S/C12H17N3O2/c13-6-1-5-12(16)15(8-3-7-14)10-11-4-2-9-17-11/h2,4,9H,1,3,5-6,8,10,13H2
InChIKeyZRHCPNGPCVIKPL-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.26
Rot. Bonds7

About 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide

4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 54874085) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
PubChem CID54874085
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
SMILESN#CCCN(Cc1ccco1)C(=O)CCCN
InChIInChI=1S/C12H17N3O2/c13-6-1-5-12(16)15(8-3-7-14)10-11-4-2-9-17-11/h2,4,9H,1,3,5-6,8,10,13H2
InChIKeyZRHCPNGPCVIKPL-UHFFFAOYSA-N
XLogP1.26
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
4-(aminomethyl)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 79512015
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
N-(2-cyanoethyl)-3-[furan-2-ylmethyl(methyl)amino]-N-methylpropanamide
CID 43526914
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
CID 66236653
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide (CID 54874085) is 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide is N#CCCN(Cc1ccco1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is ZRHCPNGPCVIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-6-1-5-12(16)15(8-3-7-14)10-11-4-2-9-17-11/h2,4,9H,1,3,5-6,8,10,13H2.
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide?
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 235.29 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 54874085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).