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

C20H25FN2O4 — CID 134031135

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)N(C)Cc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H25FN2O4/c1-13(20(24)23(2)12-14-7-6-8-15(21)9-14)22-16-10-17(25-3)19(27-5)18(11-16)26-4/h6-11,13,22H,12H2,1-5H3
InChIKeyOZBOXUOBIKFFHZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.31
Rot. Bonds8

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

N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 134031135) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
PubChem CID134031135
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NC(C)C(=O)N(C)Cc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C20H25FN2O4/c1-13(20(24)23(2)12-14-7-6-8-15(21)9-14)22-16-10-17(25-3)19(27-5)18(11-16)26-4/h6-11,13,22H,12H2,1-5H3
InChIKeyOZBOXUOBIKFFHZ-UHFFFAOYSA-N
XLogP3.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)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

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134039310
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
CID 95255161
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111285351
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide (CID 134031135) is N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NC(C)C(=O)N(C)Cc2cccc(F)c2)cc(OC)c1OC.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is OZBOXUOBIKFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-13(20(24)23(2)12-14-7-6-8-15(21)9-14)22-16-10-17(25-3)19(27-5)18(11-16)26-4/h6-11,13,22H,12H2,1-5H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 376.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 134031135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).