3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide

C12H17N3O2 — CID 62670366

IUPAC3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
SMILESCC(CN)C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C12H17N3O2/c1-10(8-14)12(16)15(6-3-5-13)9-11-4-2-7-17-11/h2,4,7,10H,3,6,8-9,14H2,1H3
InChIKeyLXXTXQJKOLCYCR-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.12
Rot. Bonds6

About 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide

3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide (PubChem CID 62670366) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
PubChem CID62670366
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
SMILESCC(CN)C(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C12H17N3O2/c1-10(8-14)12(16)15(6-3-5-13)9-11-4-2-7-17-11/h2,4,7,10H,3,6,8-9,14H2,1H3
InChIKeyLXXTXQJKOLCYCR-UHFFFAOYSA-N
XLogP1.12
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide (CID 62670366) is 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide is CC(CN)C(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide?
The InChIKey is LXXTXQJKOLCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10(8-14)12(16)15(6-3-5-13)9-11-4-2-7-17-11/h2,4,7,10H,3,6,8-9,14H2,1H3.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide?
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 62670366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).