2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide

C27H36F2N2O2 — CID 142242625

IUPAC2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide
SMILESCCc1cccc(CNC[C@@H](O)C(C)(Cc2cc(F)cc(F)c2)NC(=O)CC2CCCC2)c1
InChIInChI=1S/C27H36F2N2O2/c1-3-19-9-6-10-21(11-19)17-30-18-25(32)27(2,16-22-12-23(28)15-24(29)13-22)31-26(33)14-20-7-4-5-8-20/h6,9-13,15,20,25,30,32H,3-5,7-8,14,16-18H2,1-2H3,(H,31,33)/t25-,27?/m1/s1
InChIKeySEARLGUGDBOKQY-CSMDKSQMSA-N
MW458.59 g/mol
LogP4.68
Rot. Bonds11

About 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide

2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide (PubChem CID 142242625) has the molecular formula C27H36F2N2O2 and a molecular weight of 458.59 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide
PubChem CID142242625
Molecular FormulaC27H36F2N2O2
Molecular Weight458.59 g/mol
Exact Mass458.27
IUPAC Name2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide
SMILESCCc1cccc(CNC[C@@H](O)C(C)(Cc2cc(F)cc(F)c2)NC(=O)CC2CCCC2)c1
InChIInChI=1S/C27H36F2N2O2/c1-3-19-9-6-10-21(11-19)17-30-18-25(32)27(2,16-22-12-23(28)15-24(29)13-22)31-26(33)14-20-7-4-5-8-20/h6,9-13,15,20,25,30,32H,3-5,7-8,14,16-18H2,1-2H3,(H,31,33)/t25-,27?/m1/s1
InChIKeySEARLGUGDBOKQY-CSMDKSQMSA-N
XLogP4.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide
CID 142242318
N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
CID 58802798
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(methylsulfonylmethyl)cyclohexane-1-carboxamide
CID 57487427
4-tert-butyl-N-[2-[[(3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 58966657
2-(cyclohexen-1-yl)-N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]acetamide
CID 57487599
N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3,5-dimethylbenzamide
CID 159245492
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-hydroxy-1-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidine-2-carboxamide
CID 68607557
N-[(2R,3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 58802562
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethylphenyl)methylamino]butan-2-yl] 4-[[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate
CID 69495473
3-N-cyclohexyl-3-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 70011418
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
N'-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-N-[3-(trifluoromethyl)phenyl]butanediamide
CID 68610204

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide (CID 142242625) is 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide is CCc1cccc(CNC[C@@H](O)C(C)(Cc2cc(F)cc(F)c2)NC(=O)CC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide?
The InChIKey is SEARLGUGDBOKQY-CSMDKSQMSA-N. The full InChI is InChI=1S/C27H36F2N2O2/c1-3-19-9-6-10-21(11-19)17-30-18-25(32)27(2,16-22-12-23(28)15-24(29)13-22)31-26(33)14-20-7-4-5-8-20/h6,9-13,15,20,25,30,32H,3-5,7-8,14,16-18H2,1-2H3,(H,31,33)/t25-,27?/m1/s1.
What are the key properties of 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide?
2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide has a molecular weight of 458.59 g/mol, XLogP of 4.68, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxy-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 142242625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).