N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide

C19H25F2N3O4 — CID 143959911

IUPACN-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1cc(F)c(N2CC3(CC3)C3(C2)OCCO3)c(F)c1
InChIInChI=1S/C19H25F2N3O4/c1-12(25)22-8-14(26)9-23-13-6-15(20)17(16(21)7-13)24-10-18(2-3-18)19(11-24)27-4-5-28-19/h6-7,14,23,26H,2-5,8-11H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyFAHIARZGATXXAY-AWEZNQCLSA-N
MW397.42 g/mol
LogP1.22
Rot. Bonds6

About N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide

N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide (PubChem CID 143959911) has the molecular formula C19H25F2N3O4 and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide
PubChem CID143959911
Molecular FormulaC19H25F2N3O4
Molecular Weight397.42 g/mol
Exact Mass397.18
IUPAC NameN-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1cc(F)c(N2CC3(CC3)C3(C2)OCCO3)c(F)c1
InChIInChI=1S/C19H25F2N3O4/c1-12(25)22-8-14(26)9-23-13-6-15(20)17(16(21)7-13)24-10-18(2-3-18)19(11-24)27-4-5-28-19/h6-7,14,23,26H,2-5,8-11H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyFAHIARZGATXXAY-AWEZNQCLSA-N
XLogP1.22
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide 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

10-(2,6-difluoro-4-nitrosophenyl)-5,8-dioxa-10-azadispiro[2.0.44.33]undecane
CID 90922375
N-[(2R)-3-[3-fluoro-4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)anilino]-2-hydroxypropyl]acetamide
CID 71316848
N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide
CID 15538712
[1-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)anilino]-3-(methylamino)propan-2-yl] nitrite
CID 166925866
3-hydroxy-4-(3,4,5-trifluoroanilino)butanoic acid
CID 103249545
N-[[3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 135148499
N-[(2R)-2-hydroxy-3-(5H-imidazo[1,2-a][3,1]benzothiazin-7-ylamino)propyl]acetamide
CID 54531835
N-[[3-[3,5-difluoro-4-(7-fluoro-5-azaspiro[2.4]heptan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67499529
[1-(cyclobutanecarbonylamino)-3-[3,5-difluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)anilino]propan-2-yl] nitrite
CID 166925359
6-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-2,3-dihydroisoindol-1-one
CID 168640025
N-[[(5S)-3-[3,5-difluoro-4-[(7Z)-7-methoxyimino-5-azaspiro[2.4]heptan-5-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 46182570
2-[(2R)-3-[4-(1,3,3a,4,5,7,8,8a-octahydrothiepino[4,5-c]pyrrol-2-yl)-3,5-difluoroanilino]-2-hydroxypropyl]isoindole-1,3-dione
CID 155319515

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide (CID 143959911) is N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide is CC(=O)NC[C@H](O)CNc1cc(F)c(N2CC3(CC3)C3(C2)OCCO3)c(F)c1.
What is the InChIKey of N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide?
The InChIKey is FAHIARZGATXXAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25F2N3O4/c1-12(25)22-8-14(26)9-23-13-6-15(20)17(16(21)7-13)24-10-18(2-3-18)19(11-24)27-4-5-28-19/h6-7,14,23,26H,2-5,8-11H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide?
N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide has a molecular weight of 397.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[4-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)-3,5-difluoroanilino]-2-hydroxypropyl]acetamide is sourced from PubChem (CID 143959911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).