N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide

C28H34F2N2O3 — CID 11612768

IUPACN-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(-c2ccco2)ccc1CC(C)(C)C
InChIInChI=1S/C28H34F2N2O3/c1-18(33)32-25(12-19-10-23(29)14-24(30)11-19)26(34)17-31-16-22-13-20(27-6-5-9-35-27)7-8-21(22)15-28(2,3)4/h5-11,13-14,25-26,31,34H,12,15-17H2,1-4H3,(H,32,33)
InChIKeyZPMFTIXTHTVPOY-UHFFFAOYSA-N
MW484.59 g/mol
LogP5.01
Rot. Bonds10

About N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 11612768) has the molecular formula C28H34F2N2O3 and a molecular weight of 484.59 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
PubChem CID11612768
Molecular FormulaC28H34F2N2O3
Molecular Weight484.59 g/mol
Exact Mass484.25
IUPAC NameN-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(-c2ccco2)ccc1CC(C)(C)C
InChIInChI=1S/C28H34F2N2O3/c1-18(33)32-25(12-19-10-23(29)14-24(30)11-19)26(34)17-31-16-22-13-20(27-6-5-9-35-27)7-8-21(22)15-28(2,3)4/h5-11,13-14,25-26,31,34H,12,15-17H2,1-4H3,(H,32,33)
InChIKeyZPMFTIXTHTVPOY-UHFFFAOYSA-N
XLogP5.01
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.59
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide (CID 11612768) is N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(-c2ccco2)ccc1CC(C)(C)C.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is ZPMFTIXTHTVPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N2O3/c1-18(33)32-25(12-19-10-23(29)14-24(30)11-19)26(34)17-31-16-22-13-20(27-6-5-9-35-27)7-8-21(22)15-28(2,3)4/h5-11,13-14,25-26,31,34H,12,15-17H2,1-4H3,(H,32,33).
What are the key properties of N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 484.59 g/mol, XLogP of 5.01, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4-[[2-(2,2-dimethylpropyl)-5-(furan-2-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 11612768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).