2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide

C20H25FN2O2 — CID 78894500

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
SMILESCN(CC(=O)N(C)CCCOc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C20H25FN2O2/c1-22(15-17-8-6-9-18(21)14-17)16-20(24)23(2)12-7-13-25-19-10-4-3-5-11-19/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3
InChIKeyKRHSSESOIHMGNN-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.18
Rot. Bonds9

About 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide

2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide (PubChem CID 78894500) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
PubChem CID78894500
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
SMILESCN(CC(=O)N(C)CCCOc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C20H25FN2O2/c1-22(15-17-8-6-9-18(21)14-17)16-20(24)23(2)12-7-13-25-19-10-4-3-5-11-19/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3
InChIKeyKRHSSESOIHMGNN-UHFFFAOYSA-N
XLogP3.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 43290526
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide (CID 78894500) is 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide is CN(CC(=O)N(C)CCCOc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide?
The InChIKey is KRHSSESOIHMGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-22(15-17-8-6-9-18(21)14-17)16-20(24)23(2)12-7-13-25-19-10-4-3-5-11-19/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3.
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide has a molecular weight of 344.43 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide is sourced from PubChem (CID 78894500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).