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

C17H33NO5 — CID 168950838

IUPACN-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESCCCCCCCCCCN(C(C)=O)C1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H33NO5/c1-3-4-5-6-7-8-9-10-11-18(13(2)19)17-16(22)15(21)14(20)12-23-17/h14-17,20-22H,3-12H2,1-2H3/t14-,15+,16-,17?/m1/s1
InChIKeyAPLQCIMQHAFHFL-LVYZTWJOSA-N
MW331.45 g/mol
LogP1.41
Rot. Bonds10

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

N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (PubChem CID 168950838) has the molecular formula C17H33NO5 and a molecular weight of 331.45 g/mol. Its IUPAC name is N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
PubChem CID168950838
Molecular FormulaC17H33NO5
Molecular Weight331.45 g/mol
Exact Mass331.24
IUPAC NameN-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESCCCCCCCCCCN(C(C)=O)C1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H33NO5/c1-3-4-5-6-7-8-9-10-11-18(13(2)19)17-16(22)15(21)14(20)12-23-17/h14-17,20-22H,3-12H2,1-2H3/t14-,15+,16-,17?/m1/s1
InChIKeyAPLQCIMQHAFHFL-LVYZTWJOSA-N
XLogP1.41
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.41
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-octadecyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 168950849
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-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The IUPAC name of N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (CID 168950838) is N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.
What is the SMILES notation for N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The canonical SMILES for N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is CCCCCCCCCCN(C(C)=O)C1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The InChIKey is APLQCIMQHAFHFL-LVYZTWJOSA-N. The full InChI is InChI=1S/C17H33NO5/c1-3-4-5-6-7-8-9-10-11-18(13(2)19)17-16(22)15(21)14(20)12-23-17/h14-17,20-22H,3-12H2,1-2H3/t14-,15+,16-,17?/m1/s1.
What are the key properties of N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 1.41, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-N-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is sourced from PubChem (CID 168950838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).