2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide

C14H20FN3O3 — CID 17399068

IUPAC2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3/c1-10(13(19)17-14(20)16-2)18(3)8-9-21-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyKONOEXVRVBUJSV-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.98
Rot. Bonds6

About 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide

2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 17399068) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID17399068
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3/c1-10(13(19)17-14(20)16-2)18(3)8-9-21-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyKONOEXVRVBUJSV-UHFFFAOYSA-N
XLogP0.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 26005700
N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide
CID 24507675
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 17399068) is 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is KONOEXVRVBUJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-10(13(19)17-14(20)16-2)18(3)8-9-21-12-6-4-11(15)5-7-12/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide?
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 297.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 17399068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).