CID 89434036

C23H45BN2O3 — CID 89434036

IUPAC—
SMILES[B][C@H]1CC(NNC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)O1
InChIInChI=1S/C23H45BN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26-25-20-18-22(24)29-21(20)19-27/h20-22,25,27H,2-19H2,1H3,(H,26,28)/t20?,21-,22-/m1/s1
InChIKeyHVHYRLQENNADCG-HRUVVLKGSA-N
MW408.44 g/mol
LogP4.51
Rot. Bonds19

About CID 89434036

CID 89434036 (PubChem CID 89434036) has the molecular formula C23H45BN2O3 and a molecular weight of 408.44 g/mol.

Molecular Properties

Compound NameCID 89434036
PubChem CID89434036
Molecular FormulaC23H45BN2O3
Molecular Weight408.44 g/mol
Exact Mass408.35
IUPAC Name—
SMILES[B][C@H]1CC(NNC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)O1
InChIInChI=1S/C23H45BN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26-25-20-18-22(24)29-21(20)19-27/h20-22,25,27H,2-19H2,1H3,(H,26,28)/t20?,21-,22-/m1/s1
InChIKeyHVHYRLQENNADCG-HRUVVLKGSA-N
XLogP4.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 89434036 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

N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octadecanamide
CID 70985585
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]hexadecanamide
CID 70480518
N-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxan-3-yl]decanamide
CID 155614587
(E)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]tetradec-9-enamide
CID 11132847
N'-(2-chloroacetyl)octanehydrazide
CID 5171797
N-[(2S,4R,5S)-2-tert-butyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]decanamide
CID 71203777
N-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 10125697
N'-propanoylundecanehydrazide
CID 174995270
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
2-(2-octanoylhydrazinyl)-2-oxoacetic acid
CID 175747026

Frequently Asked Questions

What is the IUPAC name of CID 89434036?
The IUPAC name of CID 89434036 (CID 89434036) is not available.
What is the SMILES notation for CID 89434036?
The canonical SMILES for CID 89434036 is [B][C@H]1CC(NNC(=O)CCCCCCCCCCCCCCCCC)[C@@H](CO)O1.
What is the InChIKey of CID 89434036?
The InChIKey is HVHYRLQENNADCG-HRUVVLKGSA-N. The full InChI is InChI=1S/C23H45BN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)26-25-20-18-22(24)29-21(20)19-27/h20-22,25,27H,2-19H2,1H3,(H,26,28)/t20?,21-,22-/m1/s1.
What are the key properties of CID 89434036?
CID 89434036 has a molecular weight of 408.44 g/mol, XLogP of 4.51, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89434036 is sourced from PubChem (CID 89434036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).