[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C23H26FNO4 — CID 8661449

IUPAC[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(CNC(=O)[C@H](C)OC(=O)C2(c3ccccc3F)CCCC2)cc1
InChIInChI=1S/C23H26FNO4/c1-16(21(26)25-15-17-9-11-18(28-2)12-10-17)29-22(27)23(13-5-6-14-23)19-7-3-4-8-20(19)24/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyVRPHDDGLEVVHNQ-INIZCTEOSA-N
MW399.46 g/mol
LogP3.89
Rot. Bonds7

About [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8661449) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8661449
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(CNC(=O)[C@H](C)OC(=O)C2(c3ccccc3F)CCCC2)cc1
InChIInChI=1S/C23H26FNO4/c1-16(21(26)25-15-17-9-11-18(28-2)12-10-17)29-22(27)23(13-5-6-14-23)19-7-3-4-8-20(19)24/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyVRPHDDGLEVVHNQ-INIZCTEOSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661448
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8574749
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661519
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
1-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110438283
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506948
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoate
CID 40880339
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696924
N-[1-(2-fluorophenyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 110440158

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 8661449) is [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is COc1ccc(CNC(=O)[C@H](C)OC(=O)C2(c3ccccc3F)CCCC2)cc1.
What is the InChIKey of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is VRPHDDGLEVVHNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-16(21(26)25-15-17-9-11-18(28-2)12-10-17)29-22(27)23(13-5-6-14-23)19-7-3-4-8-20(19)24/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,25,26)/t16-/m0/s1.
What are the key properties of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 399.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8661449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).