(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide

C18H19N3O4 — CID 34737309

IUPAC(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCc1ccco1
InChIInChI=1S/C18H19N3O4/c1-13(25-15-7-5-14(10-19)6-8-15)18(23)21(2)12-17(22)20-11-16-4-3-9-24-16/h3-9,13H,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyUMCDRNUQOSSXCE-ZDUSSCGKSA-N
MW341.37 g/mol
LogP1.69
Rot. Bonds7

About (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide

(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 34737309) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID34737309
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCc1ccco1
InChIInChI=1S/C18H19N3O4/c1-13(25-15-7-5-14(10-19)6-8-15)18(23)21(2)12-17(22)20-11-16-4-3-9-24-16/h3-9,13H,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyUMCDRNUQOSSXCE-ZDUSSCGKSA-N
XLogP1.69
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 55660949
2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 16546591
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
2-(4-cyanophenoxy)-N-methyl-N-(2-phenoxyethyl)propanamide
CID 51156822
N-(1-benzofuran-2-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 86994457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide (CID 34737309) is (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is UMCDRNUQOSSXCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(25-15-7-5-14(10-19)6-8-15)18(23)21(2)12-17(22)20-11-16-4-3-9-24-16/h3-9,13H,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide?
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 341.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 34737309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).