N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide

C15H18F2N2O2 — CID 79883438

IUPACN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
SMILESO=C(COc1c(F)cc(CNC2CC2)cc1F)NC1CC1
InChIInChI=1S/C15H18F2N2O2/c16-12-5-9(7-18-10-1-2-10)6-13(17)15(12)21-8-14(20)19-11-3-4-11/h5-6,10-11,18H,1-4,7-8H2,(H,19,20)
InChIKeyYLEVOLYGSRVCME-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.87
Rot. Bonds7

About N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide

N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide (PubChem CID 79883438) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
PubChem CID79883438
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC NameN-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
SMILESO=C(COc1c(F)cc(CNC2CC2)cc1F)NC1CC1
InChIInChI=1S/C15H18F2N2O2/c16-12-5-9(7-18-10-1-2-10)6-13(17)15(12)21-8-14(20)19-11-3-4-11/h5-6,10-11,18H,1-4,7-8H2,(H,19,20)
InChIKeyYLEVOLYGSRVCME-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
CID 79883466
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270
4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79884320
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882213
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
N-cyclopropyl-2-[2,6-dimethyl-4-(propylaminomethyl)phenoxy]acetamide
CID 43276771

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide (CID 79883438) is N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide is O=C(COc1c(F)cc(CNC2CC2)cc1F)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide?
The InChIKey is YLEVOLYGSRVCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-12-5-9(7-18-10-1-2-10)6-13(17)15(12)21-8-14(20)19-11-3-4-11/h5-6,10-11,18H,1-4,7-8H2,(H,19,20).
What are the key properties of N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide?
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide has a molecular weight of 296.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide is sourced from PubChem (CID 79883438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).