CID 59530892

C23H34FN2O3 — CID 59530892

IUPAC—
SMILESCCCCCCCC(=O)N[C@@H]([CH]c1ccc2c(c1)OCCO2)CN1CC[C@H](F)C1
InChIInChI=1S/C23H34FN2O3/c1-2-3-4-5-6-7-23(27)25-20(17-26-11-10-19(24)16-26)14-18-8-9-21-22(15-18)29-13-12-28-21/h8-9,14-15,19-20H,2-7,10-13,16-17H2,1H3,(H,25,27)/t19-,20-/m0/s1
InChIKeyVWMKHVFJBZCPDK-PMACEKPBSA-N
MW405.53 g/mol
LogP3.90
Rot. Bonds11

About CID 59530892

CID 59530892 (PubChem CID 59530892) has the molecular formula C23H34FN2O3 and a molecular weight of 405.53 g/mol.

Molecular Properties

Compound NameCID 59530892
PubChem CID59530892
Molecular FormulaC23H34FN2O3
Molecular Weight405.53 g/mol
Exact Mass405.26
IUPAC Name—
SMILESCCCCCCCC(=O)N[C@@H]([CH]c1ccc2c(c1)OCCO2)CN1CC[C@H](F)C1
InChIInChI=1S/C23H34FN2O3/c1-2-3-4-5-6-7-23(27)25-20(17-26-11-10-19(24)16-26)14-18-8-9-21-22(15-18)29-13-12-28-21/h8-9,14-15,19-20H,2-7,10-13,16-17H2,1H3,(H,25,27)/t19-,20-/m0/s1
InChIKeyVWMKHVFJBZCPDK-PMACEKPBSA-N
XLogP3.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze CID 59530892 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

CID 59531103
CID 59531103
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluoropyrrolidin-1-yl)-1-hydroxypropan-2-yl]octanamide
CID 58369370
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-hydroxypropan-2-yl]octanamide;molecular hydrogen
CID 160964534
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 70230572
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(4-methylpiperidin-1-yl)propan-2-yl]octanamide;methane
CID 160876925
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxypropan-2-yl]-7-(4-methoxyphenyl)-7-oxoheptanamide;molecular hydrogen
CID 157168753
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxypropan-2-yl]-7-(4-fluorophenyl)-7-oxoheptanamide
CID 58336072
N-[(1S,2R)-3-(3-azabicyclo[3.1.0]hexan-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxypropan-2-yl]octanamide
CID 148936737
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxypropan-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pentanamide
CID 59530691
N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
CID 59280122
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-[(2R)-2-methylpyrrolidin-1-yl]propan-2-yl]octanamide
CID 71140785
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(methoxymethyl)pyrrolidin-1-yl]propan-2-yl]octanamide
CID 91306197

Frequently Asked Questions

What is the IUPAC name of CID 59530892?
The IUPAC name of CID 59530892 (CID 59530892) is not available.
What is the SMILES notation for CID 59530892?
The canonical SMILES for CID 59530892 is CCCCCCCC(=O)N[C@@H]([CH]c1ccc2c(c1)OCCO2)CN1CC[C@H](F)C1.
What is the InChIKey of CID 59530892?
The InChIKey is VWMKHVFJBZCPDK-PMACEKPBSA-N. The full InChI is InChI=1S/C23H34FN2O3/c1-2-3-4-5-6-7-23(27)25-20(17-26-11-10-19(24)16-26)14-18-8-9-21-22(15-18)29-13-12-28-21/h8-9,14-15,19-20H,2-7,10-13,16-17H2,1H3,(H,25,27)/t19-,20-/m0/s1.
What are the key properties of CID 59530892?
CID 59530892 has a molecular weight of 405.53 g/mol, XLogP of 3.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59530892 is sourced from PubChem (CID 59530892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).