N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide

C13H19N3O2 — CID 60687664

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C13H19N3O2/c1-2-7-15-10-13(17)16(8-4-6-14)11-12-5-3-9-18-12/h3,5,9,15H,2,4,7-8,10-11H2,1H3
InChIKeyPLHQOINMOPCAFK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.52
Rot. Bonds8

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide (PubChem CID 60687664) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
PubChem CID60687664
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C13H19N3O2/c1-2-7-15-10-13(17)16(8-4-6-14)11-12-5-3-9-18-12/h3,5,9,15H,2,4,7-8,10-11H2,1H3
InChIKeyPLHQOINMOPCAFK-UHFFFAOYSA-N
XLogP1.52
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
N-(2-cyanoethyl)-2-(2,6-dimethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 86910776
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-(2-cyanoethyl)-2-[(4-ethylphenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 39973191
N,N-bis(furan-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 78915168
2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 79805676
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 78798540
3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 78798556
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide (CID 60687664) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide is CCCNCC(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide?
The InChIKey is PLHQOINMOPCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-7-15-10-13(17)16(8-4-6-14)11-12-5-3-9-18-12/h3,5,9,15H,2,4,7-8,10-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide is sourced from PubChem (CID 60687664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).