2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide

C14H20F2N2O2 — CID 134001625

IUPAC2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-18(10-14(19)17-6-3-7-20-2)9-11-4-5-12(15)8-13(11)16/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyVQBJEMFVQZDCIE-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.55
Rot. Bonds8

About 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide

2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 134001625) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID134001625
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-18(10-14(19)17-6-3-7-20-2)9-11-4-5-12(15)8-13(11)16/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,19)
InChIKeyVQBJEMFVQZDCIE-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lacosamide
CID 219078
Spm-6953
CID 10634426
N-benzyl-2-acetamido-3-methoxypropionamide
CID 21634109
Get-73
CID 10221200
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
(R)-2-Amino-N-benzyl-3-methoxypropionamide
CID 10104501
N,N'-Dibenzyloxamide
CID 219253
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
2-(Benzylamino)acetamide
CID 433982

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide (CID 134001625) is 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is VQBJEMFVQZDCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18(10-14(19)17-6-3-7-20-2)9-11-4-5-12(15)8-13(11)16/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 286.32 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 134001625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).