4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride

C15H26Cl2FN3O2 — CID 120595850

IUPAC4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCCN(C)c1ccccc1F.Cl.Cl
InChIInChI=1S/C15H24FN3O2.2ClH/c1-19(14-7-4-3-6-13(14)16)9-5-8-18-15(20)10-12(11-17)21-2;;/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyDRUVFLJILJOGAS-UHFFFAOYSA-N
MW370.30 g/mol
LogP1.98
Rot. Bonds9

About 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride

4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120595850) has the molecular formula C15H26Cl2FN3O2 and a molecular weight of 370.30 g/mol. Its IUPAC name is 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120595850
Molecular FormulaC15H26Cl2FN3O2
Molecular Weight370.30 g/mol
Exact Mass369.14
IUPAC Name4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCCN(C)c1ccccc1F.Cl.Cl
InChIInChI=1S/C15H24FN3O2.2ClH/c1-19(14-7-4-3-6-13(14)16)9-5-8-18-15(20)10-12(11-17)21-2;;/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyDRUVFLJILJOGAS-UHFFFAOYSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120594933
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 55908417
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-methoxybutanamide
CID 120587259
(E)-N-[2-[3-(2-fluoro-N-methylanilino)propylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55953718
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(4-nitrophenoxy)acetamide
CID 55907894
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride (CID 120595850) is 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)NCCCN(C)c1ccccc1F.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is DRUVFLJILJOGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2.2ClH/c1-19(14-7-4-3-6-13(14)16)9-5-8-18-15(20)10-12(11-17)21-2;;/h3-4,6-7,12H,5,8-11,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 370.30 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).