3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide

C17H31NO4 — CID 11515162

IUPAC3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
SMILESCCCCCCCCCCC(O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-14(19)13-16(20)18-15-11-12-22-17(15)21/h14-15,19H,2-13H2,1H3,(H,18,20)
InChIKeyWPABDBXVMARFIE-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.70
Rot. Bonds12

About 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide

3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide (PubChem CID 11515162) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
PubChem CID11515162
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Name3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
SMILESCCCCCCCCCCC(O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-14(19)13-16(20)18-15-11-12-22-17(15)21/h14-15,19H,2-13H2,1H3,(H,18,20)
InChIKeyWPABDBXVMARFIE-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 24882438
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide
CID 20633768
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
(3R)-3-hydroxy-N-[(3R)-2-oxopiperidin-3-yl]hexadecanamide
CID 10595238

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide?
The IUPAC name of 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide (CID 11515162) is 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide.
What is the SMILES notation for 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide?
The canonical SMILES for 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide is CCCCCCCCCCC(O)CC(=O)NC1CCOC1=O.
What is the InChIKey of 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide?
The InChIKey is WPABDBXVMARFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-2-3-4-5-6-7-8-9-10-14(19)13-16(20)18-15-11-12-22-17(15)21/h14-15,19H,2-13H2,1H3,(H,18,20).
What are the key properties of 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide?
3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide has a molecular weight of 313.44 g/mol, XLogP of 2.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide is sourced from PubChem (CID 11515162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).