N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide

C20H39NO2 — CID 130186574

IUPACN-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide
SMILESCCCCCCCCCCCCC/C=C/[C@@H](C)[C@H](CO)NC=O
InChIInChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20(17-22)21-18-23/h15-16,18-20,22H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m1/s1
InChIKeyRRUCTASOBMCGKQ-HEQKZDDYSA-N
MW325.54 g/mol
LogP4.99
Rot. Bonds17

About N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide

N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide (PubChem CID 130186574) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide
PubChem CID130186574
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC NameN-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide
SMILESCCCCCCCCCCCCC/C=C/[C@@H](C)[C@H](CO)NC=O
InChIInChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20(17-22)21-18-23/h15-16,18-20,22H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m1/s1
InChIKeyRRUCTASOBMCGKQ-HEQKZDDYSA-N
XLogP4.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide 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-[(E,2R)-1-hydroxy-3-methyloctadec-4-en-2-yl]hexadecanamide
CID 130252091
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-methylpropanamide
CID 118218148
N-[(E,2S,3R)-3-fluoro-1-hydroxydodec-4-en-2-yl]hexanamide
CID 10313632
N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxypropanamide
CID 167219709
N-[(E,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10427441
N-[(E,2R,3S)-1,3-dihydroxyhexadec-4-en-2-yl]acetamide
CID 141483442
N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10759678
N-[(E)-1,3-dihydroxyhexacos-4-en-2-yl]pentadecanamide
CID 138169267
N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]heptacosanamide
CID 138262706
N-[(E)-1,3-dihydroxypentacos-4-en-2-yl]octadecanamide
CID 138264538
N-[(E,2S,3R)-1,3-dihydroxynonadec-4-en-2-yl]nonadecanamide
CID 134719158

Frequently Asked Questions

What is the IUPAC name of N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide?
The IUPAC name of N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide (CID 130186574) is N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide.
What is the SMILES notation for N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide?
The canonical SMILES for N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide is CCCCCCCCCCCCC/C=C/[C@@H](C)[C@H](CO)NC=O.
What is the InChIKey of N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide?
The InChIKey is RRUCTASOBMCGKQ-HEQKZDDYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2)20(17-22)21-18-23/h15-16,18-20,22H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m1/s1.
What are the key properties of N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide?
N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide has a molecular weight of 325.54 g/mol, XLogP of 4.99, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R,3R)-1-hydroxy-3-methyloctadec-4-en-2-yl]formamide is sourced from PubChem (CID 130186574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).