(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide

C18H20FNO4 — CID 7751068

IUPAC(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCOc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO4/c1-11-9-16(22-3)17(23-4)10-15(11)20-18(21)12(2)24-14-7-5-13(19)6-8-14/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyTUZYXUYQNZNWCE-LBPRGKRZSA-N
MW333.36 g/mol
LogP3.56
Rot. Bonds6

About (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide

(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 7751068) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID7751068
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCOc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO4/c1-11-9-16(22-3)17(23-4)10-15(11)20-18(21)12(2)24-14-7-5-13(19)6-8-14/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyTUZYXUYQNZNWCE-LBPRGKRZSA-N
XLogP3.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)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

methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
CID 18084077
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
(2R)-2-(4-fluorophenoxy)-N-(2-methylphenyl)propanamide
CID 7946714
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
N-(5-fluoro-2-methylphenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 86918507
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide (CID 7751068) is (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide is COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC.
What is the InChIKey of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is TUZYXUYQNZNWCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-11-9-16(22-3)17(23-4)10-15(11)20-18(21)12(2)24-14-7-5-13(19)6-8-14/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 333.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 7751068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).