N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide

C18H20FN3O3 — CID 24507675

IUPACN-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H20FN3O3/c1-22(11-12-25-15-9-7-14(19)8-10-15)16(17(23)21-18(20)24)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,20,21,23,24)
InChIKeyMBULQZBBXFMFPJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.07
Rot. Bonds7

About N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide

N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide (PubChem CID 24507675) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide
PubChem CID24507675
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(C(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C18H20FN3O3/c1-22(11-12-25-15-9-7-14(19)8-10-15)16(17(23)21-18(20)24)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,20,21,23,24)
InChIKeyMBULQZBBXFMFPJ-UHFFFAOYSA-N
XLogP2.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
CID 110627301
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 46662497
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51167401
methyl (2S)-2-(4-fluorophenyl)-2-[2-methoxyethyl(methyl)amino]acetate
CID 95276021
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
(2R)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[(1R)-1-phenylethyl]propanamide
CID 98700243
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide?
The IUPAC name of N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide (CID 24507675) is N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide.
What is the SMILES notation for N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide?
The canonical SMILES for N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide is CN(CCOc1ccc(F)cc1)C(C(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide?
The InChIKey is MBULQZBBXFMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-22(11-12-25-15-9-7-14(19)8-10-15)16(17(23)21-18(20)24)13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H3,20,21,23,24).
What are the key properties of N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide?
N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide has a molecular weight of 345.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]-2-phenylacetamide is sourced from PubChem (CID 24507675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).