N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide

C43H85NO3 — CID 54249823

IUPACN-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
SMILESCCCCCCCCCCCCCCCCCC[C@H](CO)NC(=O)CCCCCCCCCCC(=O)CCCCCCCCCCC
InChIInChI=1S/C43H85NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-24-28-32-36-41(40-45)44-43(47)39-35-31-27-23-22-26-30-34-38-42(46)37-33-29-25-20-12-10-8-6-4-2/h41,45H,3-40H2,1-2H3,(H,44,47)/t41-/m1/s1
InChIKeyQVYQYFZSAHQGGQ-VQJSHJPSSA-N
MW664.16 g/mol
LogP13.51
Rot. Bonds40

About N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide

N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide (PubChem CID 54249823) has the molecular formula C43H85NO3 and a molecular weight of 664.16 g/mol. Its IUPAC name is N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
PubChem CID54249823
Molecular FormulaC43H85NO3
Molecular Weight664.16 g/mol
Exact Mass663.65
IUPAC NameN-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide
SMILESCCCCCCCCCCCCCCCCCC[C@H](CO)NC(=O)CCCCCCCCCCC(=O)CCCCCCCCCCC
InChIInChI=1S/C43H85NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-24-28-32-36-41(40-45)44-43(47)39-35-31-27-23-22-26-30-34-38-42(46)37-33-29-25-20-12-10-8-6-4-2/h41,45H,3-40H2,1-2H3,(H,44,47)/t41-/m1/s1
InChIKeyQVYQYFZSAHQGGQ-VQJSHJPSSA-N
XLogP13.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds40
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.16
LogP ≤ 513.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide 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)-1-hydroxyoctadecan-2-yl]-31-oxotetratetracontanamide
CID 57043708
N-[(2S)-1-hydroxyoctadecan-2-yl]-31-oxohexatetracontanamide
CID 57005666
N-(1-hydroxyicosan-2-yl)-12-oxopentacosanamide
CID 54427121
N-[(2S)-1-hydroxyoctadecan-2-yl]-16-oxoheptatriacont-28-enamide
CID 57156321
N-(1-hydroxyoctadecan-2-yl)octadec-9-enamide
CID 91503776
N-(1,3-dihydroxypropan-2-yl)tridecanamide
CID 87498301
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
N-(1,4-dihydroxytetradecan-2-yl)tetradecanamide
CID 22971680
N-[(2R)-1,4-dihydroxytetradecan-2-yl]tetradecanamide
CID 59040546
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-pentan-3-yldocosanamide
CID 123339332
(3R)-N-[(2R)-1-hydroxyhexan-2-yl]-3-methyltetradecanamide
CID 88590856

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide?
The IUPAC name of N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide (CID 54249823) is N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide.
What is the SMILES notation for N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide?
The canonical SMILES for N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide is CCCCCCCCCCCCCCCCCC[C@H](CO)NC(=O)CCCCCCCCCCC(=O)CCCCCCCCCCC.
What is the InChIKey of N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide?
The InChIKey is QVYQYFZSAHQGGQ-VQJSHJPSSA-N. The full InChI is InChI=1S/C43H85NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-24-28-32-36-41(40-45)44-43(47)39-35-31-27-23-22-26-30-34-38-42(46)37-33-29-25-20-12-10-8-6-4-2/h41,45H,3-40H2,1-2H3,(H,44,47)/t41-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide?
N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide has a molecular weight of 664.16 g/mol, XLogP of 13.51, 40 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxyicosan-2-yl]-12-oxotricosanamide is sourced from PubChem (CID 54249823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).