N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide

C18H28FN3O2 — CID 51271531

IUPACN-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H28FN3O2/c1-13(14-7-9-15(19)10-8-14)21(5)12-17(24)22(6)11-16(23)20-18(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,20,23)
InChIKeyCKXUNBVYYAGCQT-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.19
Rot. Bonds6

About N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide (PubChem CID 51271531) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
PubChem CID51271531
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC NameN-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H28FN3O2/c1-13(14-7-9-15(19)10-8-14)21(5)12-17(24)22(6)11-16(23)20-18(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,20,23)
InChIKeyCKXUNBVYYAGCQT-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 51226996
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
2-[1-(4-fluorophenyl)ethyl-methylamino]-N-prop-2-ynylacetamide
CID 47014928
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 8636937
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151195
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8767309
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
CID 18118150
N-tert-butyl-2-[[2-[cyclopropyl-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736270
N-tert-butyl-2-[[2-[cyclopropyl-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736272
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide (CID 51271531) is N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide is CC(c1ccc(F)cc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
The InChIKey is CKXUNBVYYAGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-13(14-7-9-15(19)10-8-14)21(5)12-17(24)22(6)11-16(23)20-18(2,3)4/h7-10,13H,11-12H2,1-6H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide has a molecular weight of 337.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 51271531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).