4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide

C14H20F2N2O2 — CID 120593154

IUPAC4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
SMILESCCC(NC(=O)CC(CN)OC)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O2/c1-3-13(11-6-9(15)4-5-12(11)16)18-14(19)7-10(8-17)20-2/h4-6,10,13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyJWWDJWBNDRQFPE-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.90
Rot. Bonds7

About 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide

4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide (PubChem CID 120593154) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
PubChem CID120593154
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide
SMILESCCC(NC(=O)CC(CN)OC)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O2/c1-3-13(11-6-9(15)4-5-12(11)16)18-14(19)7-10(8-17)20-2/h4-6,10,13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyJWWDJWBNDRQFPE-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(2,4-difluorophenyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120592889
3-amino-N-[1-(2,5-difluorophenyl)propyl]propanamide
CID 119333169
3-amino-N-[1-(2,5-difluorophenyl)propyl]-3-phenylpropanamide
CID 119951958
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
4-amino-N-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]-3-methoxybutanamide
CID 120591938
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
(2S,5R)-5-(aminomethyl)-N-[1-(2,5-difluorophenyl)propyl]oxolane-2-carboxamide
CID 120794662
N-[1-(2,5-difluorophenyl)propyl]piperidine-4-carboxamide
CID 119333172
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591741

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide (CID 120593154) is 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide is CCC(NC(=O)CC(CN)OC)c1cc(F)ccc1F.
What is the InChIKey of 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide?
The InChIKey is JWWDJWBNDRQFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-13(11-6-9(15)4-5-12(11)16)18-14(19)7-10(8-17)20-2/h4-6,10,13H,3,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide?
4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide has a molecular weight of 286.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,5-difluorophenyl)propyl]-3-methoxybutanamide is sourced from PubChem (CID 120593154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).