N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide

C12H24FN3O2 — CID 156794806

IUPACN-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC1CN(CCNCF)CCO1
InChIInChI=1S/C12H24FN3O2/c1-3-12(17)15(2)8-11-9-16(6-7-18-11)5-4-14-10-13/h11,14H,3-10H2,1-2H3
InChIKeyRPSWWGXWCPBFCR-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.07
Rot. Bonds7

About N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide

N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide (PubChem CID 156794806) has the molecular formula C12H24FN3O2 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide
PubChem CID156794806
Molecular FormulaC12H24FN3O2
Molecular Weight261.34 g/mol
Exact Mass261.19
IUPAC NameN-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC1CN(CCNCF)CCO1
InChIInChI=1S/C12H24FN3O2/c1-3-12(17)15(2)8-11-9-16(6-7-18-11)5-4-14-10-13/h11,14H,3-10H2,1-2H3
InChIKeyRPSWWGXWCPBFCR-UHFFFAOYSA-N
XLogP0.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide?
The IUPAC name of N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide (CID 156794806) is N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide?
The canonical SMILES for N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide is CCC(=O)N(C)CC1CN(CCNCF)CCO1.
What is the InChIKey of N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide?
The InChIKey is RPSWWGXWCPBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3O2/c1-3-12(17)15(2)8-11-9-16(6-7-18-11)5-4-14-10-13/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide?
N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide has a molecular weight of 261.34 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(fluoromethylamino)ethyl]morpholin-2-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 156794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).