2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide

C15H20F2N2O2 — CID 64720260

IUPAC2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(21-13-6-10(16)5-11(17)7-13)8-15(2,14(18)20)19-12-3-4-12/h5-7,9,12,19H,3-4,8H2,1-2H3,(H2,18,20)
InChIKeyFULDFSZZHNZDLX-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.12
Rot. Bonds7

About 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide

2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide (PubChem CID 64720260) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
PubChem CID64720260
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-9(21-13-6-10(16)5-11(17)7-13)8-15(2,14(18)20)19-12-3-4-12/h5-7,9,12,19H,3-4,8H2,1-2H3,(H2,18,20)
InChIKeyFULDFSZZHNZDLX-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033
2-(cyclopropylamino)-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64720679
4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
methyl 2-(cyclopropylamino)-3-(3,5-difluorophenoxy)-2-methylpropanoate
CID 62784881
4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64706234
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylbutanoic acid
CID 62785439
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 103290058
2-(cyclopentylamino)-4,4-dimethoxy-2-methylbutanamide
CID 66178852

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide (CID 64720260) is 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide is CC(CC(C)(NC1CC1)C(N)=O)Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide?
The InChIKey is FULDFSZZHNZDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(21-13-6-10(16)5-11(17)7-13)8-15(2,14(18)20)19-12-3-4-12/h5-7,9,12,19H,3-4,8H2,1-2H3,(H2,18,20).
What are the key properties of 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide?
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide has a molecular weight of 298.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide is sourced from PubChem (CID 64720260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).