N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

C24H26FN3O3 — CID 8755794

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C24H26FN3O3/c1-2-28(17-22(29)26-15-18-10-12-20(25)13-11-18)23(30)16-27-24(21-9-6-14-31-21)19-7-4-3-5-8-19/h3-14,24,27H,2,15-17H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyIMZCURBDOJMSNT-DEOSSOPVSA-N
MW423.49 g/mol
LogP3.26
Rot. Bonds10

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (PubChem CID 8755794) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
PubChem CID8755794
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C24H26FN3O3/c1-2-28(17-22(29)26-15-18-10-12-20(25)13-11-18)23(30)16-27-24(21-9-6-14-31-21)19-7-4-3-5-8-19/h3-14,24,27H,2,15-17H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyIMZCURBDOJMSNT-DEOSSOPVSA-N
XLogP3.26
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756278
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 4881698
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542035
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8756584
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
CID 8756094
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide (CID 8755794) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN[C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
The InChIKey is IMZCURBDOJMSNT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-2-28(17-22(29)26-15-18-10-12-20(25)13-11-18)23(30)16-27-24(21-9-6-14-31-21)19-7-4-3-5-8-19/h3-14,24,27H,2,15-17H2,1H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide is sourced from PubChem (CID 8755794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).