N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide

C25H49NO5 — CID 168950849

IUPACN-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESCCCCCCCCCCCCCCCCCCN(C(C)=O)C1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(21(2)27)25-24(30)23(29)22(28)20-31-25/h22-25,28-30H,3-20H2,1-2H3/t22-,23+,24-,25?/m1/s1
InChIKeyDPQMJOFMVFCJRU-YFPHNYGOSA-N
MW443.67 g/mol
LogP4.54
Rot. Bonds18

About N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide

N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (PubChem CID 168950849) has the molecular formula C25H49NO5 and a molecular weight of 443.67 g/mol. Its IUPAC name is N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
PubChem CID168950849
Molecular FormulaC25H49NO5
Molecular Weight443.67 g/mol
Exact Mass443.36
IUPAC NameN-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESCCCCCCCCCCCCCCCCCCN(C(C)=O)C1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(21(2)27)25-24(30)23(29)22(28)20-31-25/h22-25,28-30H,3-20H2,1-2H3/t22-,23+,24-,25?/m1/s1
InChIKeyDPQMJOFMVFCJRU-YFPHNYGOSA-N
XLogP4.54
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.67
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 168950838
N-octadecyl-N-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]dodecanamide
CID 100968042
ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 22837681
1-(4-tert-butylcyclohexyl)ethyl N-dodecyl-N-[(3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 22837679
3-(2-chloroethyl)-1-propyl-1-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]urea
CID 54455417
N-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-N-heptan-2-ylacetamide
CID 177089602
(2R,3R,4S,5R)-2-dodecylsulfanyloxane-3,4,5-triol
CID 70544677
N-methyl-N-octyloxirane-2-carboxamide
CID 176644736
N-acetyl-N-decylacetamide
CID 57029087
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671

Frequently Asked Questions

What is the IUPAC name of N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The IUPAC name of N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (CID 168950849) is N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.
What is the SMILES notation for N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The canonical SMILES for N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is CCCCCCCCCCCCCCCCCCN(C(C)=O)C1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The InChIKey is DPQMJOFMVFCJRU-YFPHNYGOSA-N. The full InChI is InChI=1S/C25H49NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(21(2)27)25-24(30)23(29)22(28)20-31-25/h22-25,28-30H,3-20H2,1-2H3/t22-,23+,24-,25?/m1/s1.
What are the key properties of N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide has a molecular weight of 443.67 g/mol, XLogP of 4.54, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is sourced from PubChem (CID 168950849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).