4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide

C13H17N3O3 — CID 66236653

IUPAC4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)C1COCC1N
InChIInChI=1S/C13H17N3O3/c14-4-2-5-16(7-10-3-1-6-19-10)13(17)11-8-18-9-12(11)15/h1,3,6,11-12H,2,5,7-9,15H2
InChIKeyVRVZHELEGVXJFK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.50
Rot. Bonds5

About 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide

4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 66236653) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
PubChem CID66236653
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide
SMILESN#CCCN(Cc1ccco1)C(=O)C1COCC1N
InChIInChI=1S/C13H17N3O3/c14-4-2-5-16(7-10-3-1-6-19-10)13(17)11-8-18-9-12(11)15/h1,3,6,11-12H,2,5,7-9,15H2
InChIKeyVRVZHELEGVXJFK-UHFFFAOYSA-N
XLogP0.50
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
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3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
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2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide (CID 66236653) is 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide is N#CCCN(Cc1ccco1)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is VRVZHELEGVXJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-4-2-5-16(7-10-3-1-6-19-10)13(17)11-8-18-9-12(11)15/h1,3,6,11-12H,2,5,7-9,15H2.
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide?
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66236653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).