N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide

C20H24F2N2O3 — CID 46444363

IUPACN-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N(C)CCCOc1ccccc1
InChIInChI=1S/C20H24F2N2O3/c1-15(24(2)13-8-14-26-16-9-4-3-5-10-16)19(25)23-17-11-6-7-12-18(17)27-20(21)22/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H,23,25)
InChIKeyVXCLUSHTAQVTJU-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.02
Rot. Bonds10

About N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide

N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide (PubChem CID 46444363) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
PubChem CID46444363
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)F)N(C)CCCOc1ccccc1
InChIInChI=1S/C20H24F2N2O3/c1-15(24(2)13-8-14-26-16-9-4-3-5-10-16)19(25)23-17-11-6-7-12-18(17)27-20(21)22/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H,23,25)
InChIKeyVXCLUSHTAQVTJU-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
2-[3-(3-chlorophenoxy)propyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 60517268
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539774
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
4-(4-acetylphenoxy)-N-[2-(difluoromethoxy)phenyl]butanamide
CID 7941418
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide (CID 46444363) is N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide is CC(C(=O)Nc1ccccc1OC(F)F)N(C)CCCOc1ccccc1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide?
The InChIKey is VXCLUSHTAQVTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-15(24(2)13-8-14-26-16-9-4-3-5-10-16)19(25)23-17-11-6-7-12-18(17)27-20(21)22/h3-7,9-12,15,20H,8,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide?
N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide has a molecular weight of 378.42 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide is sourced from PubChem (CID 46444363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).