methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate

C23H28FNO4 — CID 134130479

IUPACmethyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
SMILESCCCC(C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)C(=O)OC)cc1
InChIInChI=1S/C23H28FNO4/c1-4-6-16(2)15-29-20-11-9-18(10-12-20)22(23(27)28-3)25-21(26)14-17-7-5-8-19(24)13-17/h5,7-13,16,22H,4,6,14-15H2,1-3H3,(H,25,26)/t16?,22-/m1/s1
InChIKeyUXYYWGJVRZWIQM-VXNXSFHZSA-N
MW401.48 g/mol
LogP4.21
Rot. Bonds10

About methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate

methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate (PubChem CID 134130479) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
PubChem CID134130479
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC Namemethyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
SMILESCCCC(C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)C(=O)OC)cc1
InChIInChI=1S/C23H28FNO4/c1-4-6-16(2)15-29-20-11-9-18(10-12-20)22(23(27)28-3)25-21(26)14-17-7-5-8-19(24)13-17/h5,7-13,16,22H,4,6,14-15H2,1-3H3,(H,25,26)/t16?,22-/m1/s1
InChIKeyUXYYWGJVRZWIQM-VXNXSFHZSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate
CID 134130014
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[2-(4-nitrophenyl)acetyl]amino]acetate
CID 134130370
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[2-(2-nitrophenyl)acetyl]amino]acetate
CID 134130744
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
methyl (2R)-2-[4-(2-methylpentoxy)phenyl]-2-[(1-phenylcyclopropanecarbonyl)amino]acetate
CID 134130445
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-(4-methoxyphenyl)acetate
CID 10180421
N-benzylformamide;methyl 2-[4-(2-methylpentoxy)phenyl]propanoate
CID 169109476
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973
(3S)-3-[[2-(3-fluorophenyl)acetyl]amino]hexanoic acid
CID 97328206
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate?
The IUPAC name of methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate (CID 134130479) is methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate.
What is the SMILES notation for methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate?
The canonical SMILES for methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate is CCCC(C)COc1ccc([C@@H](NC(=O)Cc2cccc(F)c2)C(=O)OC)cc1.
What is the InChIKey of methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate?
The InChIKey is UXYYWGJVRZWIQM-VXNXSFHZSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-4-6-16(2)15-29-20-11-9-18(10-12-20)22(23(27)28-3)25-21(26)14-17-7-5-8-19(24)13-17/h5,7-13,16,22H,4,6,14-15H2,1-3H3,(H,25,26)/t16?,22-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate?
methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate has a molecular weight of 401.48 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(3-fluorophenyl)acetyl]amino]-2-[4-(2-methylpentoxy)phenyl]acetate is sourced from PubChem (CID 134130479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).