N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide

C13H18F2N2O2 — CID 62785960

IUPACN-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCOc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-17(5-2-4-16)13(18)3-6-19-12-8-10(14)7-11(15)9-12/h7-9H,2-6,16H2,1H3
InChIKeyBGGVCKMLNBACRK-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.54
Rot. Bonds7

About N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide

N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide (PubChem CID 62785960) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
PubChem CID62785960
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC NameN-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCOc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-17(5-2-4-16)13(18)3-6-19-12-8-10(14)7-11(15)9-12/h7-9H,2-6,16H2,1H3
InChIKeyBGGVCKMLNBACRK-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-difluorophenoxy)-N,N-dimethylpropanamide
CID 176703397
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
CID 107206604
N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
CID 55030985
3-amino-N-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-(3-aminopropyl)-3-[(2-fluorophenyl)methoxy]-N-methylpropanamide
CID 63934653
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide (CID 62785960) is N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide is CN(CCCN)C(=O)CCOc1cc(F)cc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide?
The InChIKey is BGGVCKMLNBACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-17(5-2-4-16)13(18)3-6-19-12-8-10(14)7-11(15)9-12/h7-9H,2-6,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide?
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide has a molecular weight of 272.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 62785960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).