2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide

C20H24F2N2O3 — CID 46406054

IUPAC2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
SMILESCCOc1cc(CN(C)C(C)C(=O)Nc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H24F2N2O3/c1-4-26-18-12-15(10-11-17(18)27-20(21)22)13-24(3)14(2)19(25)23-16-8-6-5-7-9-16/h5-12,14,20H,4,13H2,1-3H3,(H,23,25)
InChIKeyDQOQNDSVLRQWFF-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.15
Rot. Bonds9

About 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide

2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide (PubChem CID 46406054) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
PubChem CID46406054
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
SMILESCCOc1cc(CN(C)C(C)C(=O)Nc2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H24F2N2O3/c1-4-26-18-12-15(10-11-17(18)27-20(21)22)13-24(3)14(2)19(25)23-16-8-6-5-7-9-16/h5-12,14,20H,4,13H2,1-3H3,(H,23,25)
InChIKeyDQOQNDSVLRQWFF-UHFFFAOYSA-N
XLogP4.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide 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-[[(2S)-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propanoyl]amino]benzamide
CID 51939505
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 46406134
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46405979
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42957860
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 55524825
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide (CID 46406054) is 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide is CCOc1cc(CN(C)C(C)C(=O)Nc2ccccc2)ccc1OC(F)F.
What is the InChIKey of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
The InChIKey is DQOQNDSVLRQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-4-26-18-12-15(10-11-17(18)27-20(21)22)13-24(3)14(2)19(25)23-16-8-6-5-7-9-16/h5-12,14,20H,4,13H2,1-3H3,(H,23,25).
What are the key properties of 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide?
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide has a molecular weight of 378.42 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 46406054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).