N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide

C21H27FN2O4 — CID 46444904

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)CCCOc2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H27FN2O4/c1-15(21(25)23-17-8-11-19(26-3)20(14-17)27-4)24(2)12-5-13-28-18-9-6-16(22)7-10-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyOISVLBCUWTXIDY-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.57
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide

N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide (PubChem CID 46444904) has the molecular formula C21H27FN2O4 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
PubChem CID46444904
Molecular FormulaC21H27FN2O4
Molecular Weight390.46 g/mol
Exact Mass390.20
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
SMILESCOc1ccc(NC(=O)C(C)N(C)CCCOc2ccc(F)cc2)cc1OC
InChIInChI=1S/C21H27FN2O4/c1-15(21(25)23-17-8-11-19(26-3)20(14-17)27-4)24(2)12-5-13-28-18-9-6-16(22)7-10-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,25)
InChIKeyOISVLBCUWTXIDY-UHFFFAOYSA-N
XLogP3.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46630573
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935769
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461401
N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46444363
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 51233943
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide (CID 46444904) is N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide is COc1ccc(NC(=O)C(C)N(C)CCCOc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The InChIKey is OISVLBCUWTXIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4/c1-15(21(25)23-17-8-11-19(26-3)20(14-17)27-4)24(2)12-5-13-28-18-9-6-16(22)7-10-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide has a molecular weight of 390.46 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide is sourced from PubChem (CID 46444904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).