N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide

C15H20F2N2O2 — CID 79882213

IUPACN-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
SMILESCCNCc1cc(F)c(OCC(=O)NCC2CC2)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-2-18-7-11-5-12(16)15(13(17)6-11)21-9-14(20)19-8-10-3-4-10/h5-6,10,18H,2-4,7-9H2,1H3,(H,19,20)
InChIKeyPHMXXBHTVIMBEA-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.98
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide

N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide (PubChem CID 79882213) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
PubChem CID79882213
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
SMILESCCNCc1cc(F)c(OCC(=O)NCC2CC2)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-2-18-7-11-5-12(16)15(13(17)6-11)21-9-14(20)19-8-10-3-4-10/h5-6,10,18H,2-4,7-9H2,1H3,(H,19,20)
InChIKeyPHMXXBHTVIMBEA-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
N-cyclopropyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882235
2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
CID 79883466
N-[[4-(2,3-dichloroprop-2-enoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 79892169
N-(cyclopropylmethyl)-2-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]acetamide
CID 43516699
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 79891340
N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103133316

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide (CID 79882213) is N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide is CCNCc1cc(F)c(OCC(=O)NCC2CC2)c(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide?
The InChIKey is PHMXXBHTVIMBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-18-7-11-5-12(16)15(13(17)6-11)21-9-14(20)19-8-10-3-4-10/h5-6,10,18H,2-4,7-9H2,1H3,(H,19,20).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide?
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide has a molecular weight of 298.33 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide is sourced from PubChem (CID 79882213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).