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

C25H32F2N6O2 — CID 11496791

IUPACN-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(CC(C)(C)C)ccc1-n1cnnn1
InChIInChI=1S/C25H32F2N6O2/c1-16(34)30-22(10-18-8-20(26)11-21(27)9-18)24(35)14-28-13-19-7-17(12-25(2,3)4)5-6-23(19)33-15-29-31-32-33/h5-9,11,15,22,24,28,35H,10,12-14H2,1-4H3,(H,30,34)
InChIKeyFSFHXIOXVAECSD-UHFFFAOYSA-N
MW486.57 g/mol
LogP2.73
Rot. Bonds10

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

N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 11496791) has the molecular formula C25H32F2N6O2 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
PubChem CID11496791
Molecular FormulaC25H32F2N6O2
Molecular Weight486.57 g/mol
Exact Mass486.26
IUPAC NameN-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(CC(C)(C)C)ccc1-n1cnnn1
InChIInChI=1S/C25H32F2N6O2/c1-16(34)30-22(10-18-8-20(26)11-21(27)9-18)24(35)14-28-13-19-7-17(12-25(2,3)4)5-6-23(19)33-15-29-31-32-33/h5-9,11,15,22,24,28,35H,10,12-14H2,1-4H3,(H,30,34)
InChIKeyFSFHXIOXVAECSD-UHFFFAOYSA-N
XLogP2.73
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide (CID 11496791) is N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNCc1cc(CC(C)(C)C)ccc1-n1cnnn1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is FSFHXIOXVAECSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N6O2/c1-16(34)30-22(10-18-8-20(26)11-21(27)9-18)24(35)14-28-13-19-7-17(12-25(2,3)4)5-6-23(19)33-15-29-31-32-33/h5-9,11,15,22,24,28,35H,10,12-14H2,1-4H3,(H,30,34).
What are the key properties of N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 2.73, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-4-[[5-(2,2-dimethylpropyl)-2-(tetrazol-1-yl)phenyl]methylamino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 11496791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).