3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide

C22H22N2O4 — CID 113118157

IUPAC3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H22N2O4/c1-17(25)24(16-19-10-7-15-27-19)14-13-22(26)23-20-11-5-6-12-21(20)28-18-8-3-2-4-9-18/h2-12,15H,13-14,16H2,1H3,(H,23,26)
InChIKeyWYNMNUSHCCHDFP-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.45
Rot. Bonds8

About 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide

3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide (PubChem CID 113118157) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
PubChem CID113118157
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H22N2O4/c1-17(25)24(16-19-10-7-15-27-19)14-13-22(26)23-20-11-5-6-12-21(20)28-18-8-3-2-4-9-18/h2-12,15H,13-14,16H2,1H3,(H,23,26)
InChIKeyWYNMNUSHCCHDFP-UHFFFAOYSA-N
XLogP4.45
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide 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

3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
methyl 3-[3-[acetyl(furan-2-ylmethyl)amino]propanoylamino]-4-chlorobenzoate
CID 113118132
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113118135
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113118133
N-(2-ethoxyphenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138557
N-(2-phenoxyphenyl)-3-(propan-2-ylamino)propanamide
CID 109011722
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113163524
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide (CID 113118157) is 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccco1.
What is the InChIKey of 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is WYNMNUSHCCHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-17(25)24(16-19-10-7-15-27-19)14-13-22(26)23-20-11-5-6-12-21(20)28-18-8-3-2-4-9-18/h2-12,15H,13-14,16H2,1H3,(H,23,26).
What are the key properties of 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide?
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 113118157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).