3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide

C14H21FN2O2 — CID 120829586

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-10(16-2)9-17-14(18)7-5-11-4-6-13(19-3)12(15)8-11/h4,6,8,10,16H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyRCZJMEUYHVCOAN-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.49
Rot. Bonds7

About 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120829586) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
PubChem CID120829586
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCc1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-10(16-2)9-17-14(18)7-5-11-4-6-13(19-3)12(15)8-11/h4,6,8,10,16H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyRCZJMEUYHVCOAN-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 94028971
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide (CID 120829586) is 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCc1ccc(OC)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is RCZJMEUYHVCOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(16-2)9-17-14(18)7-5-11-4-6-13(19-3)12(15)8-11/h4,6,8,10,16H,5,7,9H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 268.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120829586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).