N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide

C20H41NO3 — CID 6610273

IUPACN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O
InChIInChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1
InChIKeyCRJGESKKUOMBCT-VQTJNVASSA-N
MW343.55 g/mol
LogP4.33
Rot. Bonds17

About N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide

N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide (PubChem CID 6610273) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide
PubChem CID6610273
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide
SMILESCCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O
InChIInChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1
InChIKeyCRJGESKKUOMBCT-VQTJNVASSA-N
XLogP4.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ceramide NG
CID 5283573
Hydroxypalmitoyl Sphinganine
CID 9959390
Cer(d18:0/26:0)
CID 644245
N-(hexadecanoyl)-sphinganine
CID 5283572
C20 Dihydroceramide
CID 5283574
N-(docosanoyl)-sphinganine
CID 5283575
N-tetracosanoylsphinganine
CID 5283577
Hydroxystearamide monoethanolamide
CID 97916
Caprooyl Phytosphingosine
CID 10251295
Dihydroceramide
CID 16755624
Palmitamidohexadecanediol
CID 15511094
N-(tetradecanoyl)-sphinganine
CID 10255824

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide (CID 6610273) is N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide is CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O.
What is the InChIKey of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide?
The InChIKey is CRJGESKKUOMBCT-VQTJNVASSA-N. The full InChI is InChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1.
What are the key properties of N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide?
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide has a molecular weight of 343.55 g/mol, XLogP of 4.33, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]acetamide is sourced from PubChem (CID 6610273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).