5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide

C15H22F2N2O2 — CID 81265267

IUPAC5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCOc1c(F)cccc1F)C(N)=O
InChIInChI=1S/C15H22F2N2O2/c1-3-9-19-15(2,14(18)20)8-5-10-21-13-11(16)6-4-7-12(13)17/h4,6-7,19H,3,5,8-10H2,1-2H3,(H2,18,20)
InChIKeyHYNAJQPEHQRFSG-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.37
Rot. Bonds9

About 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide

5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide (PubChem CID 81265267) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
PubChem CID81265267
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCOc1c(F)cccc1F)C(N)=O
InChIInChI=1S/C15H22F2N2O2/c1-3-9-19-15(2,14(18)20)8-5-10-21-13-11(16)6-4-7-12(13)17/h4,6-7,19H,3,5,8-10H2,1-2H3,(H2,18,20)
InChIKeyHYNAJQPEHQRFSG-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)propanoic acid
CID 81269915
5-(2,6-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 81265073
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propylamino)propanamide
CID 81265246
methyl 6-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)hexanoate
CID 81265264
5-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 62805542
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 62337288
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
2-amino-6-(2,6-difluorophenoxy)-2-methylhexanoic acid
CID 81269489
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
CID 66275068
2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide
CID 81269914
4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide (CID 81265267) is 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CCCOc1c(F)cccc1F)C(N)=O.
What is the InChIKey of 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide?
The InChIKey is HYNAJQPEHQRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-9-19-15(2,14(18)20)8-5-10-21-13-11(16)6-4-7-12(13)17/h4,6-7,19H,3,5,8-10H2,1-2H3,(H2,18,20).
What are the key properties of 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide?
5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide has a molecular weight of 300.35 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 81265267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).