4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide

C21H26N4O3 — CID 138736740

IUPAC4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
SMILESC=C(CCC(=O)NCc1cnc(C)cn1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-14-5-7-19(9-15(14)2)28-13-21(27)25-16(3)6-8-20(26)24-12-18-11-22-17(4)10-23-18/h5,7,9-11H,3,6,8,12-13H2,1-2,4H3,(H,24,26)(H,25,27)
InChIKeyUPCZIQFHZHQUJM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.51
Rot. Bonds9

About 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide (PubChem CID 138736740) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
PubChem CID138736740
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide
SMILESC=C(CCC(=O)NCc1cnc(C)cn1)NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-14-5-7-19(9-15(14)2)28-13-21(27)25-16(3)6-8-20(26)24-12-18-11-22-17(4)10-23-18/h5,7,9-11H,3,6,8,12-13H2,1-2,4H3,(H,24,26)(H,25,27)
InChIKeyUPCZIQFHZHQUJM-UHFFFAOYSA-N
XLogP2.51
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide 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

4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 138736196
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 155265040
2-(4-cyanophenoxy)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62847779
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
2-(diethylamino)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]butanamide
CID 155265108
N-benzyl-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpent-4-enamide
CID 138736713
4-(acetamidomethyl)-N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]pyridine-2-carboxamide
CID 155265005
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]but-3-enyl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 155264555
2-(3,4-dimethylphenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108771132
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide?
The IUPAC name of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide (CID 138736740) is 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide.
What is the SMILES notation for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide?
The canonical SMILES for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide is C=C(CCC(=O)NCc1cnc(C)cn1)NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide?
The InChIKey is UPCZIQFHZHQUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-5-7-19(9-15(14)2)28-13-21(27)25-16(3)6-8-20(26)24-12-18-11-22-17(4)10-23-18/h5,7,9-11H,3,6,8,12-13H2,1-2,4H3,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide?
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide has a molecular weight of 382.46 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-[(5-methylpyrazin-2-yl)methyl]pent-4-enamide is sourced from PubChem (CID 138736740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).