ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate

C23H30FN3O5 — CID 5046360

IUPACethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)NCC(=O)OCC
InChIInChI=1S/C23H30FN3O5/c1-4-12-26(23(30)25-13-22(29)31-5-2)16-21(28)27(15-20-11-6-17(3)32-20)14-18-7-9-19(24)10-8-18/h6-11H,4-5,12-16H2,1-3H3,(H,25,30)
InChIKeyXGBJAFZYIGOROU-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.24
Rot. Bonds11

About ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate

ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate (PubChem CID 5046360) has the molecular formula C23H30FN3O5 and a molecular weight of 447.51 g/mol. Its IUPAC name is ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
PubChem CID5046360
Molecular FormulaC23H30FN3O5
Molecular Weight447.51 g/mol
Exact Mass447.22
IUPAC Nameethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
SMILESCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)NCC(=O)OCC
InChIInChI=1S/C23H30FN3O5/c1-4-12-26(23(30)25-13-22(29)31-5-2)16-21(28)27(15-20-11-6-17(3)32-20)14-18-7-9-19(24)10-8-18/h6-11H,4-5,12-16H2,1-3H3,(H,25,30)
InChIKeyXGBJAFZYIGOROU-UHFFFAOYSA-N
XLogP3.24
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate with MolForge

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Related Compounds

4-bromo-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4088563
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylheptanamide
CID 4118080
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42773134
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]butanamide
CID 4163452
2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4092311
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3478326
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 3430800
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5101198
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 4140572
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42773137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate (CID 5046360) is ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate is CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
The InChIKey is XGBJAFZYIGOROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5/c1-4-12-26(23(30)25-13-22(29)31-5-2)16-21(28)27(15-20-11-6-17(3)32-20)14-18-7-9-19(24)10-8-18/h6-11H,4-5,12-16H2,1-3H3,(H,25,30).
What are the key properties of ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate?
ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate has a molecular weight of 447.51 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate is sourced from PubChem (CID 5046360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).