3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide

C19H21N3O3 — CID 78798556

IUPAC3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(CCC#N)Cc1ccco1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-15(23)21-18(16-7-3-2-4-8-16)13-19(24)22(11-6-10-20)14-17-9-5-12-25-17/h2-5,7-9,12,18H,6,11,13-14H2,1H3,(H,21,23)
InChIKeyNOEVPERZPIPOAH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds8

About 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide

3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 78798556) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
PubChem CID78798556
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)N(CCC#N)Cc1ccco1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-15(23)21-18(16-7-3-2-4-8-16)13-19(24)22(11-6-10-20)14-17-9-5-12-25-17/h2-5,7-9,12,18H,6,11,13-14H2,1H3,(H,21,23)
InChIKeyNOEVPERZPIPOAH-UHFFFAOYSA-N
XLogP2.79
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035
3-acetamido-N-(furan-2-ylmethyl)-N,3-bis(4-methylphenyl)propanamide
CID 43040064
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(propylamino)acetamide
CID 60687664
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
2-amino-N-[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54874146
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
3-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 62670366
N-(2-cyanoethyl)-2-(2-formylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 38898878

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide (CID 78798556) is 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)N(CCC#N)Cc1ccco1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is NOEVPERZPIPOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-15(23)21-18(16-7-3-2-4-8-16)13-19(24)22(11-6-10-20)14-17-9-5-12-25-17/h2-5,7-9,12,18H,6,11,13-14H2,1H3,(H,21,23).
What are the key properties of 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide?
3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 78798556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).