N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide

C14H21FN2O2 — CID 119804487

IUPACN-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyDECWTTKYNFCVOF-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.56
Rot. Bonds7

About N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide

N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119804487) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119804487
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(C)Oc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyDECWTTKYNFCVOF-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
CID 71994274
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
methyl (2R)-4-[[(2S)-2-(4-fluorophenoxy)propyl]amino]-2-methyl-4-oxobutanoate
CID 96542660
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
N-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111678242
N-[2-[[N-[2-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111678241
(2R)-N-[(2S)-2-(4-fluorophenoxy)propyl]-2-(propan-2-ylideneamino)oxyhexanamide
CID 97347876

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide (CID 119804487) is N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC(C)Oc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is DECWTTKYNFCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-12(15)5-7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119804487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).