3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C20H24FNO4 — CID 48850397

IUPAC3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)Cc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H24FNO4/c1-13(8-14-6-5-7-16(21)9-14)20(23)22-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h5-7,9-11,13H,8,12H2,1-4H3,(H,22,23)
InChIKeyYZFXOXSYVSKWGI-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.35
Rot. Bonds8

About 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 48850397) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID48850397
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)Cc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H24FNO4/c1-13(8-14-6-5-7-16(21)9-14)20(23)22-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h5-7,9-11,13H,8,12H2,1-4H3,(H,22,23)
InChIKeyYZFXOXSYVSKWGI-UHFFFAOYSA-N
XLogP3.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]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-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214305
N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 122156072
(2S)-N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 124628719
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 60516756
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111285351
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
3-(3,4-dihydroxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 112522401

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 48850397) is 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)C(C)Cc2cccc(F)c2)cc(OC)c1OC.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is YZFXOXSYVSKWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4/c1-13(8-14-6-5-7-16(21)9-14)20(23)22-12-15-10-17(24-2)19(26-4)18(11-15)25-3/h5-7,9-11,13H,8,12H2,1-4H3,(H,22,23).
What are the key properties of 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 361.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 48850397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).